Recent Computational Biology Group Presentations

	2008 - Mantha, A., Bhakat, K.K., Oezguen, N., Izumi, T., Braun, W. and Mitra, S. Exploring Potential Link Between Seven Cys Residues of HAPE1'S Repair and Redox Functions: a Multi Functional DNA Repair Enzyme. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Danecek, P. and Schein, C.H. Flavitrack, a Database to Determine Functional and Immunologically Important Regions of Flavivirus Sequences. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Schein, C.H., Ivanciuc, O., Midoro-Horiuti, T., Xie, L., Hillman, G.R., Goldblum, R.M. and Braun,W. Identification of Jun a 1 Cross-Reactive Peptides Using Physico-Chemical Indices and Partial Least Squares. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Oezguen, N., Mantha, A.K., Bhakat, K.K., Izumi, T., Mitra, S. and Braun, W. Influence of a Distant Ser Residue on the Active Site Over 16 Angstroms: Unusual Affect of C99S APE1 on Endonuclease Activity Or Repair Function. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Negi, S., Tiwari, R., Midoro-Horiuti, T., Goldblum, R.M. and Braun, W. EpiSearch: a New Method for Mapping Conformational Epitopes Using Peptide Mimics From Phage Display Libraries. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Chen, D., Sower, L., Peterson, J.W. and Schein, C.H. Fragment Based Drug Design for Cholera Therapy. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Power, T.D., Ivanciuc, O. and Braun, W. Analysis of Surface and Interface Residues Involved in Antibody/Antigen Complexes. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Ivanciuc, O., Power, T.D., Gendel, S.M., Schein, C.H. and Braun, W. AllerML: Ontology and Markup Language for Allergens and for Structural Biology Studies of Allergenicity. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Anderson, K., Navaratnarajah, C., Cattaneo, R., Braun, W. and Oezguen, N. MD Simulations of Measles Virus Hemagglutinin Y228A and N274A Mutants. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Ma, L., Xu, M., Garcia, T. and Oberhauser, A.F. The Effects of Pathogenic Mutations on Polycystin-1 Domain Nano-Mechanics. 13th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 16-17).
	- Danecek, P. and Schein, C.H. Flavitrack, a Database to Determine Functional and Immunologically Important Regions of Flavivirus Sequences. Global Health Poster Symposium, The Global Health Concentration, The University of Texas, School of Public Health, Houston, TX (April 9).
	2007 - Braun, W. Structural (3-D) Comparisons of Novel Proteins to Known Allergens. Protein Allergenicity Technical Committee New Methods Workshop, ILSI Health and Environmental Sciences Institute (HESI), Hotel Palais de la Mediterranee, Nice, France (October 24).
	- Martin-Jones, Z.S., Chen, D., Gilbertson, S.R., Schein, C.H. and Soto, C. Beta-Sheet Breaker and Small Molecule Inhibitors of Amyloids in Alzheimer's Disease. UTMB Sealy Center on Aging in conjunction with Research Services 11th Annual Forum on Aging, University of Texas Medical Branch, Galveston, TX (October 3).
	- Chen, D., Martin-Jones, Z.S., Soto, C. and Schein, C.H. Pharmacophore Based Inhibitors of Beta-amyloid Fibril Formation. UTMB Sealy Center on Aging in conjunction with Research Services 11th Annual Forum on Aging, University of Texas Medical Branch, Galveston, TX (October 3).
	- Schein, C.H., Chen, D., Misra, M., Sower, L., Peterson, J.W. Computer Aided Design of Inhibitors of Bacterial Toxins. Department of Biochemistry and Molecular Biology Graduate Student Orientation, University of Texas Medical Branch, Galveston, TX (September 26).
	- Schein, C.H. Dealing with 21st Century Viruses. Xerox Research Center, Rochester, NY (June 8).
	- Midoro-Horiuti, T., Schein, C.H. and Negi, S.S. Application of Random Peptide Display and Bioinformatics to Detect Conformational Epitopes of Jun a 1, the Major Allergen of Mountain Cedar Pollen. The Federation of Clinical Immunology Societies (FOCIS) 2007, Sheraton San Diego Hotel & Marina, San Diego, CA (June 7-11).
	- Beasley, D.W.C., Zhang, S., Bovshik, E.I., Maillard, R., Gromowski, G.D., Volk, D.E., Schein, C.H., Huang, C.Y.-H., Gorenstein, D.G., Lee, J.C. and Barrett, A.D.T. Critical Role of a Tyrosine Corner Motif in the Evelope Protein Receptor-Binding Domain of Mosquito-Borne Flaviviruses. The Eighth International Symposium on Positive-Strand RNA Viruses, Mayflower Hotel in Washington DC (May 26 - 30).
	- Garcia, T., Braun, W. and Oberhauser, A.F. Molecular Insights into the Mechanical Properties of Titin I-Band Domains. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Ma, L., Garcia, T., Wang, J., and Oberhauser, A.F. The Nanomechanics of the REJ Region of Polycystin-1. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Negi, S.S. and Braun, W. Mapping Conformational Epitopes on Protein Surfaces Using Phage Display Libraries. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Bilikallahalli, M., Negi, S.S., Braun, W. and Halpert, J.R. Dissecting the Thermodynamics and Cooperativity of Ligand Binding in Cytochrome P450eryF: Implications to Drug-Drug Interactions in Humans. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Power, T.D., Ivanciuc, O.I., Negi, S.S. and Braun, W. Analysis of Surface and Interface Residue Properties Involved in Antibody/Antigen Complexes. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Ivanciuc, O.I., Midoro-Horiuti, T., Schein, C.H., Goldblum, R.M. and Braun, W. Application of the Property Distance Index PD for the Computer-Aided Design of IgE Binding Peptides for the Allergen Jun a 1. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Tiwari, R., Ning, B., Negi, S.S., Endsley, M., Estes, D., Schein, C.H., Braun, W., Midoro-Horiuti, T. and Goldblum, R. Mapping Conformational Epitopes on Jun a 1, the Major Allergen of Mountain Cedar Pollen. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Chen, D., Misra, M., Sower, L., Menche, G., Peterson, J.W., Kellogg, G.E. and Schein, C.H. Pharmacophore Based Selection and Scoring of Inhibitors of Bacterial Toxins. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Oezguen, N., Zhou, B., Negi, S.S., Ivanciuc, O.I. and Braun, W. Homology Modeling of Allergenic Proteins and Surface Analysis of Known Epitopes. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Ghosh Dastidar, S., Chen, D., Marks, G.E., Bryce, R.A. and Schein, C.H. Molecular Dynamics Simulations of the Interaction of Amyloid β-Fibrils With Peptides that Inhibit Aggregation. 12th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 18 - 19).
	- Garcia, T., Braun, W. and Oberhauser, A.F. Molecular Insights into the Mechanical Properties of Titin I-Band Domains. 15th Texas Protein Folder's Meeting, Camp Allen, TX (March 30 - April 1).
	- Garcia, T., Braun, W. and Oberhauser, A.F. Molecular Insights into the Mechanical Properties of Titin I-Band Domains. 51st Annual Biophysical Society Meeting, Baltimore, MD (March 2 - 7).
	- Schein, C.H., Chen, D., Misra, M., Sower, L., Peterson, J.W. Computer Aided Design of Bacterial Toxins. 5th Annual American Society for Microbiology (ASM) Biodefense and Emerging Diseases Research Meeting, The Renaissance Hotel, Washington, DC. (February 27 - March 2).
	- Schein, C.H. Identifying Inhibitors of Bacterial Toxins by Compound Library Screening. Pharmacology and Toxicology Seminar Series, University of Texas Medical Branch, Galveston, TX. (February 9).
	2006 - Schein, C.H., Chen, D., Misra, M., Sower, L., Menche, G., Peterson, J.W., Kellogg, G.E. Non-Nucleotide Inhibitors of Anthrax Edema Factor Identified by an ab initio Screening Method. 2006 Texas Branch Meeting of The American Society for Microbiology, The University of Texas Medical Branch, Galveston, TX (November 16-18).
	- Misra, M., Tran, V., Zhang, M. and Schein, C.H. Flavitrack, an Annotated Database to Compare Flavivirus Sequences. The Changing Landscape of Vaccine Development - Vaccines for Global Health, Moody Gardens Hotel, Galveston, TX (November 8-10).
	- Schein, C.H., Chen, D., Misra, M., Bryce, R.A., Marks, G.E., Kellogg, G.E., Soto, C. and Peterson, J.W. The Eyes Have It!: Using Positional Information to Select Inhibitors. Southwest Regional A.C.S. Meeting, 2006, Westchase Marriott Hotel, Houston, TX (October 18-22).
	- Chen, D., Marks, G.E., Bryce, R.A., Soto, C. and Schein, C.H. Binding Modes for Inhibitors of β-amyloid Fibril Formation. Southwest Regional A.C.S. Meeting, 2006, Westchase Marriott Hotel, Houston, TX (October 18-22).
	- Chen, D., Misra, M., Sower, L., Menche, G., Peterson, J.W., Kellogg, G.E. and Schein, C.H. Screening for Non-Nucleotide Based Inhibitors of Anthrax Edema Factor Using Molecular Docking. Southwest Regional A.C.S. Meeting, 2006, Westchase Marriott Hotel, Houston, TX (October 18-22).
	- Garcia, T.I., Oberhauser, A.F. and Braun, W. Molecular Insights into the Mechanical Properties of Titin I-band Domains. The 16th Keck Annual Research Conference "Extraction and Integration of Data in Biosystems", Houston, TX (October 13).
	- Estrella-Jimeneza, M.E., Gilbertson, S.R., Monk, K.A., Peterson, J.W., Sower, L., Bush, K.L., Pawlick, J.E., Moen, S.T., Torres, A.G., Schein, C.H., Chen, D., Misra, M. and Power, T.D. Synthesis of Small Molecules Inhibitors of Edema Factor. The 16th Keck Annual Research Conference "Extraction and Integration of Data in Biosystems", Houston, TX (October 13).
	- Chen, D.*, Marks, G.E., Bryce, R.A., Soto, C. and Schein, C.H. Binding Modes for Inhibitors of Beta-amyloid Fibril Formation. The 16th Keck Annual Research Conference "Extraction and Integration of Data in Biosystems", Houston, TX (October 13).
	- Chen, D., Misra, M.*, Sower, L., Menche, G., Peterson, J.W., Kellogg, G.E. and Schein, C.H. Screening for Non-Nucleotide Based Inhibitors of Anthrax Edema Factor Using Molecular Docking. The 16th Keck Annual Research Conference "Extraction and Integration of Data in Biosystems", Houston, TX (October 13).
	- Misra, M., Tran, V., Zhang, M. and Schein, C.H.* Flavitrack, an Annotated Database to Compare Complete Flavivirus Sequences. The 16th Keck Annual Research Conference "Extraction and Integration of Data in Biosystems", Houston, TX (October 13).
	- Chen, D., Misra, M., Sower, L., Menche, G., Peterson, J.W., Kellogg, G.E. and Schein, C.H. Screening for Non-Nucleotide Based Inhibitors of Anthrax Edema Factor Using Molecular Docking. UTMB Sealy Center on Aging in conjunction with Research Services 10th Annual Forum on Aging, University of Texas Medical Branch, Galveston, TX (October 4).
	- Zhang, M., Misra, M. and Schein, C.H. Following Virulence Evolution by Assigning License Plates to Flaviviruses. High School Summer Research Program Poster Session, University of Texas Medical Branch, Galveston, TX (July 28).
	- Guevara, E. and Schein, C.H. The Need to Design a Vaccine Against Dengue Virus (Flavivirus Family). High School Summer Research Program Poster Session, University of Texas Medical Branch, Galveston, TX (July 28).
	- Tran, V., Misra, M. and Schein, C.H. Identifying Functional 3-D Motifs with a Database of Flavivirus Mutations. Medical Student Summer Research Program (MSSRP) Poster Session, University of Texas Medical Branch, Galveston, TX (June 22).
	- Garcia, T.I., Oberhauser, A.F. and Braun, W. Examining Mechanically Important Residue Combinations in Titin I-band Domains. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Misra, M., Chen, D., Menche, G., Power, T.D., Peterson, J.W. Schein, C.H. Designing General Inhibitors of Adenylate Cyclase Toxins. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Power, T.D., Negi, S.S., Ivanciuc, O. and Braun, W. Physical-chemical Properties of Conformational Epitopes. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Negi, S.S., Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Residues on the Protein Surface and Its Application to VEEV Envelope Proteins. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Oezguen, N., Espinoza, R.C.D., Cattaneo, R.B. and Braun, W. 3D Model of the Complex of Measles Virus Haemagglutinin and its Human Receptor SLAM. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Ivanciuc, O., Midoro-Horiuti, T., Xie, L., Schein, C.H., Goldblum, R. and Braun, W. Design of IgE Binding Peptides for the Allergen Jun a 1 using the Property Distance Index PD. 11th Annual Sealy Center for Structural Biology and Molecular Biophysics Symposium, University of Texas Medical Branch, Galveston, TX (May 19-20).
	- Power, T.D., Negi, S.S., Ivanciuc, O. and Braun, W. Physical-chemical Properties of Conformational Epitopes. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Ivanciuc, O. and Braun, W. Computational Vaccinology with Peptide Physico-chemical Properties and Quantitative Structure-Activity Relationships. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Ivanciuc, O., Midoro-Horiuti, T., Xie, L., Schein, C.H., Goldblum, R. and Braun, W. Computer-Aided Design of IgE Binding Peptides Using the Property Distance Index PD. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Negi, S.S., Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Residues on the Protein Surface and Its Application to VEEV Envelope Proteins. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Misra, M., Chen, D., Menche, G., Power, T.D., Peterson, J.W. Schein, C.H. Designing General Inhibitors of Adenylate Cyclase Toxins. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Espinoza, R.C.D., Oezguen, N., Cattaneo, R.B. and Braun, W. Determination of the Potential Receptor Binding Site of the Measles Virus Haemagglutinin. Bugs, Drugs and Vaccines: Securing Our Future, Cosponsored by the Academy of Medicine, Engineering and Science of Texas and the University of Texas System Office of Health Affairs, Moody Gardens Hotel, Galveston, TX (April 5-6).
	- Xie, F., Jakubowski, J., Amare, A., Cummins, S.F., Nagle, G., Schein, C.H. and Sweedler, J. Characterizing Pheromones in Aplysia Californica Using Liquid Chromatography-mass Spectrometry. PITTCON, Orlando, FL (March 12-17).
	- Chen, D., Menche, G., Power, T.D., Estrella-Jimenez, M.E., Gilbertson, S.R., Peterson, J.W. and Schein, C.H. Comparison of Docking Methods for Designing Inhibitors of Anthrax Edema Factor. 2006 McLaughlin Colloquium on Infection and Immunity, University of Texas Medical Branch, Galveston, TX (January 19).
	- Power, T.D., Chen, D., Zhou, B., Braun, W., Peterson, J.W. and Schein, C.H. Evolution of Anthrax Protective Antigen Channel. 2006 McLaughlin Colloquium on Infection and Immunity, University of Texas Medical Branch, Galveston, TX (January 19).
	- Oezguen, N., Negi, S., Cattaneo, R.B., Braun, W. Comparison of the Surface Properties of the Domain of Human SLAM (CD150) Recognized by Measles Virus with that of its Mouse Homologue, and Implications for Cell Entry. 2006 McLaughlin Colloquium on Infection and Immunity, University of Texas Medical Branch, Galveston, TX (January 19).
	2005 - Garcia, T.I., Oberhauser, A.F. and Braun, W. Predicting Mechanically Important Residue Combinations in Titin I-band Domains. Keck Center for Interdisciplinary Bioscience Training 2005 Annual Research Conference, Hilton Hotel, University of Houston, Houston, TX (October 6-7).
	- Chen, D., Menche, G., Power, T.D., Estrella-Jimenez, M.E., Gilbertson, S.R., Peterson, J.W. and Schein, C.H. Comparing Different Docking Methods for Designing Inhibitors of Anthrax Edema Factor. Keck Center for Interdisciplinary Bioscience Training 2005 Annual Research Conference, Hilton Hotel, University of Houston, Houston, TX (October 6-7).
	- Edwards, A., Ivanciuc, O., Oezguen, N. and Schein, C.H. Correlation Between Allergy to Insect Proteins and Asthma: Relating Cross Reactivity to the Sequence and Structure of Allergens. High School Summer Research Program Poster Session, University of Texas Medical Branch, Galveston, TX (July 29).
	- Garcia, T.I., Braun, W. and Oberhauser, A.F. Experimental and Computational Investigations of a Beta--Sandwich Unfolding Pathway. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Avery, M.H., Oezguen, N., Schein, C.H., Zhou, B. and Braun, W. Prediction of 3D Structures of Proteins by Template Combination: Application to the Walnut Allergen Jug r 2. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Ravindran, A., Ivanciuc, O. and Braun, W. Bioinformatics Study for the Tomato Protein NP24 from the Pathogenesis-Related 5 Family. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Roychowdhury, A., Ivanciuc, O. and Braun, W. Computational Investigation of Allergenic Determinants for the Buckwheat Allergen Fag e 1. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Brooks, E., Goldblum, R. and Braun, W. Protein Allergenicity Prediction with the Property Distance Index PD. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Power, T.D., Chen, D., Menche, G., Monk, K.A., Estrella-Jimenez, M.E., Bush, K.L., Wenglikowski, A., Gilbertson, S.R., Braun, W., Peterson, J.W. and Schein, C.H. Correlating Docking Results with IC₅₀ Data for Inhibitors of Anthrax Edema Factor. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Zhou, B. and Braun, W. TESEP: A Novel Approach for Template Selection. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Oezguen, N., Zhou, B., Avery, M., Negi, S.S., Ivanciuc, O.I., Garcia, T.I., Schein, C.H., Labesse, G. and Braun, W. Large Scale Homology Modeling of Allergenic Proteins. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Oezguen, N., Hindupur, A. and Braun, W. Sequence Analysis of P450 Families CYP1, CYP2 and CYP3. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Negi, S.S., Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting interacting residues on the protein surface and its application to VEEV Envelope Proteins. Sealy Center for Structural Biology 10th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (May 20-21).
	- Schein, C.H., Zhou, B., Power, T.D., Negi, S.S., Peterson, J.W. and Braun, W. Stereophysicochemical Variability Plots provide a rapid way to analyze epitopes and interacting sites of proteins from pathogens. 2005 Texas BioDefense Summit IV: Texas Leadership in BioDefense, Preparedness and Product Development, T Bar M Ranch, New Braunfels, TX (April 28-29).
	- Schein, C.H., Oezguen, N., Volk, D.E., Garimella, R., Paul, A.V. and Braun, W. NMR structure of poliovirus VPg in a stabilizing solvent. The 46th Experimental Nuclear Magnetic Resonance Conference (ENC), Rhode Island Convention Center, Providence, RI (April 10-15).
	- Chen, D., Power, T.D., Monk, K.A., Bush, K.L., Wenglikowski, A., Gilbertson, S.R., Braun, W., Peterson, J.W. and Schein, C.H. Correlating Docking Results with IC₅₀ Data for Inhibitors of Anthrax Edema Factor. Sealy Center for Molecular Science & Sealy Center for Cancer Cell Biology: 13th Annual Science Forum, University of Texas Medical Branch, Galveston, TX (April 8).
	- Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Brooks, E., Goldblum, R. and Braun, W. Cross-Reactivity Investigation with the Property Distance Index PD. Sealy Center for Molecular Science & Sealy Center for Cancer Cell Biology: 13th Annual Science Forum, University of Texas Medical Branch, Galveston, TX (April 8).
	- Oezguen, N., Negi, S.S., Tüzün, E., Christadoss, P. and Braun, W. Structural Analysis of the α9-Subunit of the Neuronal Acetylcholine Receptor. Sealy Center for Molecular Science & Sealy Center for Cancer Cell Biology: 13th Annual Science Forum, University of Texas Medical Branch, Galveston, TX (April 8).
	2004 - Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Brooks, E., Goldblum, R. and Braun, W. Computational Tools for Allergenicity Prediction. McLaughlin Symposium: The Changing Landscape in Vaccine Development "Translating Vaccines for Emerging Diseases and Biodefense to the Marketplace", San Luis Hotel, Galveston, TX (November 12-14).
	- Negi, S.S, Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. McLaughlin Symposium: The Changing Landscape in Vaccine Development "Translating Vaccines for Emerging Diseases and Biodefense to the Marketplace", San Luis Hotel, Galveston, TX (November 12-14).
	- Xie, L., Midoro-Horiuti, T., Ivanciuc, O., Schein, C.H., Braun, W. and Goldblum, R.M. Developing New Allergen Vaccine Using Phylogenetic Approach. McLaughlin Symposium: The Changing Landscape in Vaccine Development "Translating Vaccines for Emerging Diseases and Biodefense to the Marketplace", San Luis Hotel, Galveston, TX (November 12-14).
	- Power, T.D., Schein, C.H., Braun, W. and Peterson, J.W. Variability and Functional Analysis of the Anthrax Edema and Lethal Factor Toxins. 2004 Texas Branch Meeting of The American Society for Microbiology, Crowne Plaza Hotel, Houston, TX (November 4-6).
	- Negi, S.S, Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. 2004 Texas Branch Meeting of The American Society for Microbiology, Crowne Plaza Hotel, Houston, TX (November 4-6).
	- Ivanciuc, O. and Braun, W. In Silico Screening of MHC Peptide Affinity with Quantitative Structure-Activity Relationships. XXI Southwest Theoretical Chemistry Conference, Gaido’s Seaside Inn, Galveston, TX (October 22-23).
	- Garcia, T., Torres, M., Zhou, B., Schein, C.H., Ivanciuc, O. and Braun, W. Large Scale Data Mining of Allergenic Proteins. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Power, T.D., Schein, C.H., Braun, W. and Peterson, J.W. Variability and Functional Analysis of the Anthrax Edema and Lethal Factor Toxins. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Zhou, B., Schein, C.H., Mathura V.S. and Braun W. PCPMer: A New Parallel Software Tool for Efficient Data Mining and Functional Annotation of Genomic Sequence Databases. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Oezguen, N., Power, T.D., Schein, C.H., Zhou, B., Mathura, V., Izumi, T. and Braun, W. Sequence decomposition of metal sites and MD simulations suggest a novel "moving ion" mechanism for the DNA repair endonuclease APE1. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Negi, S.S, Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Brooks, E., Goldblum, R. and Braun, W. SDAP sequence similarity search for food allergenicity prediction. Keck/HAMBP Annual Research Conference, NASA Hilton, Clear Lake, TX (October 8).
	- Oezguen, N., Power, T.D., Schein, C.H., Zhou, B., Mathura, V., Izumi, T. and Braun, W. Sequence decomposition of metal sites and MD simulations suggest a novel "moving ion" mechanism for the DNA repair endonuclease APE1. 60th ACS Southwest Regional Meeting, Fort Worth, TX (September 29-October 2).
	- Power, T.D., Schein, C.H., Braun, W. and Peterson, J.W. Variability and Functional Analysis of the Anthrax Edema and Lethal Factor Toxins. Annual McLaughlin Fellowship Colloquium on Infection and Immunity, University of Texas Medical Branch, Galveston, TX (September 14).
	- Negi, S.S, Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. Annual McLaughlin Fellowship Colloquium on Infection and Immunity, University of Texas Medical Branch, Galveston, TX (September 14).
	- Zhou, B., Schein, C.H., Mathura V.S. and Braun W. PCPMer: A New Parallel Software Tool for Efficient Data Mining and Functional Annotation of Genomic Sequence Databases. Sealy Center for Molecular Science-Science Forum 2004, University of Texas Medical Branch, Galveston, TX (May 6-7).
	- Negi, S.S, Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. Sealy Center for Molecular Science-Science Forum 2004, University of Texas Medical Branch, Galveston, TX (May 6-7).
	- Oezguen, N., Schein, C.H., Power,T.D., Tadahide Izumi, T. and Braun W. Moving ion mechanism in APE1. Sealy Center for Molecular Science-Science Forum 2004, University of Texas Medical Branch, Galveston, TX (May 6-7).
	- Power, T.D., Oezguen, N., and Braun, W. Analysis of the catalytic mechanism of human APE1 by QM/MM ONIOM calculations. Sealy Center for Molecular Science-Science Forum 2004, University of Texas Medical Branch, Galveston, TX (May 6-7).
	- Ivanciuc, O. and Braun, W. A QSAR Approach for Predicting MHC Binding Peptides in an Antigen Sequence. Sealy Center for Molecular Science-Science Forum 2004, University of Texas Medical Branch, Galveston, TX (May 6-7).
	- Oezguen, N., Schein, C.H., Power, T.D., Izumi, T. and Werner Braun, W. Moving ion mechanism in APE1. Sealy Center for Structural Biology 9th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (April 30-May 1).
	- Power, T.D., Oezguen, N. and Werner Braun, W. Analysis of the catalytic mechanism of human APE1 by QM/MM ONIOM calculations. Sealy Center for Structural Biology 9th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (April 30-May 1).
	- Zhou, B., Schein, C.H., Mathura V.S. and Braun W. PCPMer: A New Parallel Software Tool for Efficient Data Mining and Functional Annotation of Genomic Sequence Databases. Sealy Center for Structural Biology 9th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (April 30-May 1).
	- Negi, S.S, Kolokoltsov, A.A., Zhou, B., Schein, C.H., Davey, R.A. and Braun, W. Predicting Interacting Surfaces in Venezuelan Equine Encephalitis Virus (VEEV) Envelope Proteins. Sealy Center for Structural Biology 9th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (April 30-May 1).
	- Ivanciuc, O. and Braun, W. Quantitative Structure-Activity Relationships for the Peptide Affinity for MHC Class I HLA-A*0201. Sealy Center for Structural Biology 9th Annual Structural Biology Symposium, University of Texas Medical Branch, Galveston, TX (April 30-May 1).
	2003 - Peterson, J.W., Gessell-Lee, D., Saini, S.S., Weisbaum, D., Lemoins, P., Morris, A.P., Fernandez, W.A., Schein, C.H. and Braun, W. Novel inhibitors of cholera toxin-induced intestinal fluid secretion. 10th Asian Conference on Diarrhoeal Diseases and Nutrition (ASCODD), Dhaka, Bangladesh (December 7-9).
	- Schein, C.H., Ivanciuc, O. and Braun, W. Determining common physical chemical properties of IgE epitopes with a database of food allergens. XI International Food Allergy Symposium, The American College of Allergy, Asthma and Immunology, New Orleans, LA (November 7-12).
	- Fernandez, W.A., Schein, C.H., Venkatarajan, M.S., Peterson, J.W. and Braun, W. Sequence and structural decomposition of adenyl cyclases and edema factor reveals similar functional regions. Sealy Center for Molecular Sciences (SCMS) and Microbiology and Immunology Science Forum, Galveston, TX (May 30).
	- Ivanciuc, O.I., Schein, C.H., Midoro-Horiuti, T., Goldblum, R. and Braun, W. Detecting potential IgE-binding sites on food proteins using the SDAP web server. 8th Annual Sealy Center for Structural Biology (SCSB) Symposium, Galveston, TX (May 2-4).
	- Oezguen, N., Schein, C.H., Venkatarajan, M.S., Izumi, T. and Braun, W. Dynamics of the Mg2+ metal ion in APE1. 8th Annual Sealy Center for Structural Biology (SCSB) Symposium, Galveston, TX (May 2-4).
	- Fernandez, W.A., Schein, C.H., Venkatarajan, M.S., Peterson, J.W. and Braun, W. MASIA sequence and structural decomposition of adenyl cyclases and edema factor reveals similar functional regions. 8th Annual Sealy Center for Structural Biology (SCSB) Symposium, Galveston, TX (May 2-4).
	- Schein, C.H., Wang, E., Ivanciuc, O., Ji, Z., Davey, R., Weaver, S. and Braun, W. Determining functional areas of Venezuelan equine encephalitis virus proteins. 2003 Annual Meeting of the Gulf Coast Tropical Medicine Association, (GCTMA), Galveston, TX (April 24-26).
	- Fernandez, W.A., Oezguen, N., Schein, C.H., Braun, W. and Peterson, J.W. Structural basis for the interaction of PGE2-imidazole inhibitor with anthrax edema factor and mammalian adenylyl cyclases. The 2003 Annual Meeting of the Gulf Coast Tropical Medicine Association (GCTMA), Galveston, TX (April 24-26).
	- Schein, C.H., Ivanciuc, O. and Braun, W. Structural database approach to determine common properties of allergenic proteins. Monsanto Research Center, St. Louis, MO (March 24).
	- Ivanciuc, O.I., Schein, C.H., Venkatarajan, M.S. and Braun, W. Prediction of food allergenicity using the SDAP database and computational tools. 47th Annual Biophysical Society Meeting, San Antonio, TX (March 1-5).
	- Xu, Y., Oezguen, N. and Braun, W. A GUI based NOAH/DIAMOD program for automated NOESY spectra assignment and protein structure determination. 47th Annual Biophysical Society Meeting, San Antonio, TX (March 1-5).
	- Oezguen, N., Schein, C.H., Venkatarajan, M.S., Izumi, T. and Braun, W.A. Dynamics of the Mg2+ metal ion and the metal binding sites in APE1. 47th Annual Biophysical Society Meeting, San Antonio, TX (March 1-5).
	2002 - Mathura, V., Ivanciuc, O., Oezguen, N., Schein, C., Xu, Y. and Braun, W. Evaluating sequence alignment of fold-recognition tools by quantitative scoring of physical-chemical property based motifs. 5th Meeting on the Critical Assessment of Structural Prediction (CASP5), Asilomar Conference Center, Lawrence Livermore National Laboratories, Pacific Grove, CA (December 1-5).
	- Venkatarajan, M.S., Schein, C.H., Ivanciuc, O.I., Xu, Y. and Braun, W. Automated generation of property based motifs to search for functional neighbors and to improve sequence alignments. 5th Meeting on the Critical Assessment of Structural Predictions (CASP5), Asilomar Conference Center, Lawrence Livermore National Laboratories, Pacific Grove, CA (December 1-5).
	- Ivanciuc, O., Schein, C.H., Mathura, V., Midoro-Horiuti, T., Goldblum,. R., Brooks, E. and Braun, W. Structural analysis of IgE epitopes. American College of Allergy, Asthma and Immunology, San Antonio, TX (November 15-20).
	- Schein, C.H., Oezguen, N., Venkatarajan, M.S. and Braun, W. Using MASIA to define metal box architecture in nucleases and phosphatases. 58th Southwest Region American Chemical Society (ACS) Meeting, Hilton Austin North and Towers, Austin, TX (November 3-6).
	- Ivanciuc, O., Schein, C.H. and Braun, W. SDAP: Database and computational tools for allergenic proteins. Keck/GCC Bioinformatics Consortium - 2002 Bioinformatics Symposium, Rice University, Houston, TX (October 14-15).
	- Oezguen, N., Schein, C.H., Izumi, T. and Braun, W. Dynamics of the metal binding sites in APE1. Keck/GCC Bioinformatics Consortium - 2002 Bioinformatics Symposium, Rice University, Houston, TX (October 14-15).
	- Oezguen, N., Schein, C.H., Izumi, R. and Braun, W. APE1: mobility of metal ion and recognition sites at the protein/DNA interface of wild type and mutant apurinic/apyrimidinic endonucleases. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Ivanciuc, O., Schein, C.H., Venkatarajan, M.S. and Braun, W. Structural characterization of allergenic determinants with the web server SDAP. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Garimella, R., Xu, Y., Rajarathnam, K., Schein, C.H., Nagle, G.T., Painter, S.D. and Braun, W. The solution structure of a water-borne pheromone from the mollusk, aplysia californica determined with NMR. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Midoro-Horiuti, T., Mathura, V., Schein, C.H., Braun, W., Chin, C.C.Q., Yu, S., Watanabe, M., Lee, J.C., Brooks, E.G. and Goldblum, R.M. Peptide mimetics for IgE epitopes of Jun A 1, the major allergen of mountain cedar pollen. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Mathura, V., Schein, C.H., Oezguen, N. and Braun, W. Defining physical-chemical properties based motifs specific for members of the APE family of DNA repair proteins. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Soman, K.V., Venkatarajan, M.S. and Braun, W. Polar and apolar areas on membrane protein surfaces. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Xu, Y., Oezguen, N. and Braun, W. A GUI design of NOAH/DIAMOD programs for automated NOESY spectra assignment and protein structure determination. 7th Annual Structural Biology Symposium, Galveston, TX (May 17-19).
	- Venkatarajan, M.S., Schein, C.H., Oezguen, N. and Braun, W. (2002) Sequence and structural analysis of APE 1 protein family using physical-chemical properties based motifs. Recent Advances in Computational Molecular Biology, Washington DC (April 18-21).
	-Oezguen, N., Garimella, R., Schein, C.H., Xu, Y. and Braun, W. Automatic NOESY assignment and structure determination of the protein structures using NOAH/DIAMOD. 43rd Experimental Nuclear Magnetic Resonance Conference (ENC), Asilomar, CA (April 14-19).
	- Soman, K.V., Venkatarajan, M.S. and Braun, W. Distribution of polar and apolar areas on membrane protein surfaces. 46th Annual Biophysical Society Meeting, San Francisco, CA (February 23-27).
	- Schein, C.H., Ozgun, N., Izumi, T., Venkatarajan, M.S. and Braun, W. Structural and functional motifs of apurinic/apyrimidinic endonuclease. 2002 Keystone Symposia, Frontiers of Structural Biology, Session J2, Breckenridge, CO (January 5-11).
	2001 - Venkatarajan, M.S., Soman, K.V. and Braun, A. 3D model of antiapoptotic protein murine BCL-2. 45th Annual Biophysical Society Meeting, Boston, MA (February).
	- Oezguen, N., Kosynkina, L., Xu, Y., Rajarathnam, K. and Braun, W. Minimal NMR spectral data needed for automated fold determination by NOAH/DIAMOD. 42nd Annual Experimental Nuclear Magnetic Resonance (ENC) Conference, Orlando, FL (March).
	- Garimella, R., Schein, C.H., Xu, Y., Nagle, G.T., Painter, S.D. and Braun, W. NMR structure determination of attractin, a pheromone protein from the mollusk Aplysia Californica. 42nd Annual Experimental Nuclear Magnetic Resonance (ENC) Conference, Orlando, FL (March).
	- Schein, C.H., Oezguen, N. and Braun, W. Relating structure and function of endonucleases that repair abasic sites in DNA. Life Sciences Forum, Sealy Center for Molecular Science, Galveston, TX (March 28).
	- Venkatarajan, M.S., Hasan, R.J., Urvil, P., Pawelczyk, E., Goluszko, P., Selvarangan, R., Nowicki, S., Nowicki, B. and Braun, W. Structure-function analysis of decay accelerating factor using modeling and mutational mapping techniques. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Soman, K.V., Venkatarajan, M.S. and Braun, W. Distribution of polar and apolar regions on membrane protein surfaces. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Oezguen, N., Xu, Y., Rajarathnam, K. and Braun, W. Automated structure determination from 3D heteronuclear edited NMR spectra using NOAH/DIAMOD. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Schein, C.H., Oezguen, N., Venkatarajan, M.S., Izumi, T. and Braun, W. Defining the mode of action of APE1 using MASIA motif searching, MD-simulations and site directed mutagenesis. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Garimella, R., Schein, C.H., Xu, Y., Rajarathnam. K., Nagle, G.T., Painter, S.D. and Braun, W. NMR-solution structure of attractin, a water-borne pheromone from the mollusk Aplysia Californica. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Midoro-Horiuti, T., Takako, F., Brooks, E.G., Goldblum, R., Soman, K., Mathura, V., Garimella, R., Braun, W. and Schein, C.H. Structural studies of cedar pollen allergens. 6th Annual Structural Biology Symposium, Galveston, TX (May).
	- Schein, C.H., Ozgun, N., Izumi, T. and Braun, W. Defining molegos with MASIA: a modular approach to nuclease function. 122nd American Chemical Society National Meeting, Chicago, IL (August).
	2000 - Soman, K. and Braun, W. 3-D structures of proteins from experimental and theoretical constraints. 44th Annual Biophysical Society Meeting, New Orleans, LA (January).
	- Soman, K. and Braun, W. 3-D structures of proteins from constraints: a new approach. 8th Annual Protein Folders Meeting, Camp Allen, TX (March).
	- Kosynkina, L., Xu, Y., Rajarathnam, K. and Braun, W. Automated assignment and 3D structure determination of the myeloid progenitor inhibitory factor-1. 41st Experimental Nuclear Magnetic Resonance Conference (ENC), Pacific Grove, CA (April).
	- Venkatarajan, M.S. and Braun, W. A new vector representation of amino acids based on large number of physico-chemical properties. 5th Annual Structural Biology Symposium, UTMB, Galveston, TX (May).
	- Soman, K. and Braun, W. Calculation of protein structures from constraints. 5th Annual Structural Biology Symposium, UTMB, Galveston, TX (May).
	- Kosynkina, L., Xu, Y., Rajarathnam, K. and Braun, W. Automated assignment and 3D structure determination of the myeloid progenitor inhibitory factor-1 (MPIF-1). 5th Annual Structural Biology Symposium, UTMB, Galveston, TX (May).
	- Venkatarajan, M.S. and Braun, W. Quantitative descriptors for amino acids based on physico-chemical properties using vector representation. Research Retreat for the W.M. Keck Center for Computational Biology, Rice University and Baylor College of Medicine, Houston, TX (October).
	- Schein, C.H., Nagle, G.T., Page, J.S., Sweedler, J.V., Xu, Y., Garimella, R., Painter, S.D. and Braun, W. Biophysical characterization of aplysia attractin, a marine pheromone protein. Research Retreat for the W.M. Keck Center for Computational Biology, Rice University and Baylor College of Medicine, Houston, TX (October).
	- Soman, K. and Braun, W. Calculating correct protein structures without x-ray data and without NOE’s. Research Retreat for the W.M. Keck Center for Computational Biology, Rice University and Baylor College of Medicine, Houston, TX (October).
	- Schein, C.H., Nagle, G.T., Page, J.S., Sweedler, J.V., Xu, Y., Garimella, R., Painter, S.D. and Braun, W. Biophysical characterization of aplysia attractin, a marine pheromone protein. Cambridge Healthtech Institute’s 2nd Annual Protein Structure: Models, Folds, and Function Analyses Applications for Target Validation, Tysons Corner, McLean, VA (October).
	- Mathura, V.S., Soman, K.V., Schein, C.H., Xu, Y. and Braun, W. 4th Meeting on the Critical Assessment of Techniques for Protein Structure Prediction (CASP). Asilomar Conference Center, Pacific Grove, CA (December).