Complete List of Braun Group Publications

click on the lines with a green ball (greenball.gif)  for abstracts or full papers

(131) Rana, T., Hasan, R.J., Nowicki, S., Venkatarajan, M.S., Singh, R., Urvil, P.T., Popov, V., Braun, W., Popik, W., Goodwin, J.S. and Nowicki, B.J.   (2013)
greenball.gifComplement Protective Epitopes and CD55-Microtubule Complexes Facilitate the Invasion and Intracellular Persistence of Uropathogenic Escherichia coli.
  J. Infec. Dis., (in press).
(130) Power, T.D, Ivanciuc, O., Schein, C.H. and Braun, W.   (2013)
greenball.gifAssessment of 3D models for allergen research.
  PROTEINS: Struct. Funct. and Bioinf., 81(4), 545-554.

(129) Navaratnarajah, C.K., Negi, S.S., Braun, W. and Cattaneo, R.  (2012)
greenball.gifMembrane fusion triggering: three modules with different structure and function in the upper half of the measles virus attachment protein stalk.
  J. Biol. Chem., 287(46), 38543-38551.
(128) Apte-Sengupta, S., Negi, S.S., Leonard, V.H.J., Oezguen, N., Navaratnarajah, C.K., W. Braun, W. and Cattaneo, R.  (2012)
greenball.gifBase of the measles virus fusion trimer head receives the signal that triggers membrane fusion.
  J. Biol. Chem., 287(39), 33026-33035.
(127) Oezguen, N., Power, T.D., Urvil, P., Feng, H., Pothoulakis, C., Stamler, J.S., Braun, W. and Savidge, T.C.  (2012)
greenball.gifClostridial toxins: Sensing a target in a hostile gut environment.
  Gut Microbes, 3(1), 35-41.
(126) Lu, W., Negi, S.S., Oberhauser, A.F. and Braun, W.  (2012)
greenball.gifEngineering proteins with enhanced mechanical stability by force-specific sequence motifs.
Proteins, 80(5), 1308-1315.
(125) Tiwari, R., Negi, S.S., Braun, B., Braun, W., Pomes, A., Chapman, M.D., Goldblum, R.M. and Midoro-Horiuti, T.  (2012)
greenball.gifValidation of a Phage Display and Computational Algorithm by Mapping a Conformational Epitope of Bla g 2.
Int. Arch. Allergy Immunol., 157(4), 323-330.

(124)  Oezguen, N., Mantha, A.K., Izumi, T., Schein, C.H., Mitra, S. and Braun, W.  (2011)
greenball.gifMD simulation and experimental evidence for Mg2+ binding at the b site in human AP endonuclease 1.
Bioinformation, 7(4), 184-198.

(123)  Savidge, T.C., Urvil, P., Oezguen, N., Ali, K., Choudhury, A., Acharya, V., Pinchuk, I., Torres, A.G., English, R.D., Wiktorowicz, J.E., Loeffelholz, M., Kumar, R., Shi, L., Nie, W., Braun, W., Herman, B., Hausladen, A., Feng, H., Stamler, J.S. and Pothoulakis, C.  (2011)
greenball.gifHost S-nitrosylation inhibits clostridial small molecule-activated glucosylating toxins.
Nat. Med., 17(9), 1136-1142.

(122)  Ivanciuc, O., Gendel, S.M., Power, T.D., Schein, C.H. and Braun, W.  (2011)
greenball.gifAllerML: Markup Language for Allergens.
Regul. Toxicol. Pharmacol., 60(1), 151-160.
(121)  Navaratnarajah, C.K., Oezguen, N., Rupp, L., Kay, L., Leonard, V.H.J., Braun, W. and Cattaneo, R.  (2011)
greenball.gifThe heads of the measles virus attachment protein move to transmit the fusion-triggering signal.
Nat. Struct. Mol. Biol., 18(2), 128-134.

(120)  Schein, C.H., Ivanciuc, O., Midoro-Horiuti, T., Goldblum, R.M. and Braun, W.  (2010)
greenball.gifAn allergen portrait gallery: representative structures and an overview of IgE binding surfaces.
Bioinform. Biol. Insights
, 4, 113-125.

(119)  Schein, C.H., Oezguen, N., van der Heden van Noort, G.J., Filippov, D.V., Paul, A., Kumar, E. and Braun, W.  (2010)
greenball.gifNMR solution structure of poliovirus uridylyated peptide linked to the genome (VPgpU).
Peptides, 31(8), 1441-1448.
(118)  Negi, S.S. and Braun, W.  (2009)
greenball.gifAutomated Detection of Conformational Epitopes using Phage Display Peptide Sequences.
Bioinform. Biol. Insights, 3, 71-81.

(117)  Ivanciuc, O., Schein, C.H., Garcia, T.I., Oezguen, N., Negi, S.S. and Braun, W.  (2009)
greenball.gifStructural analysis of linear and conformational epitopes of allergens.
Regul. Toxicol. Pharmacol., 54(3 Suppl), S11-S19.
(116)  Garcia, T.I., Oberhauser, A.F. and Braun, W.  (2009)
greenball.gifMechanical stability and differentially conserved physical-chemical properties of Titin Ig-domains.
PROTEINS: Struct. Funct. and Bioinf., 75(3), 706-718.

(115)  Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Xie, L., Hillman, G.R., Goldblum, R.M. and Braun, W.  (2009)
greenball.gifThe property index PD predicts peptides that cross-react with IgE antibodies.
Mol. Immunol., 46(5), 873-883.
(114)  Ivanciuc, O., Garcia, T.I., Torres, M., Schein, C.H. and Braun, W.  (2009)
greenball.gifCharacteristic Motifs for Families of Allergenic Proteins.
Mol. Immunol., 46(4), 559-568.

(113)  Oezguen, N., Zhou, B., Negi, S.S., Ivanciuc, O., Schein, C.H., Labesse, G. and Braun, W.  (2008)
greenball.gifComprehensive 3D-modeling of allergenic proteins and amino acid composition of potential conformational IgE.
Mol. Immunol., 45(14), 3740-3747.
(112)  Oezguen, N., Kumar, S., Hindupur, A., Braun, W., Muralidhara, B.K. and Halpert, J.R.  (2008)
greenball.gifIdentification and analysis of conserved motifs in cytochrome P450 family 2: Functional and structural role of a Motif 187RFDYKD192 in CYP2B enzymes.
J. Biol. Chem., 283(31), 21808-21816.
(111)  Leonard, V.H.J., Sinn, P.L., Hodge, G., Miest, T., Devaux, P., Oezguen, N., Braun, W., McCray, P.B. Jr., McChesney, M.B. and Cattaneo, R.  (2008)
greenball.gifMeasles virus blind to its epithelial cell receptor remains virulent in rhesus monkeys but cannot cross the airway epithelium and is not shed.
J. Clin. Invest., 118(7), 2448-2458.

(110)  Mantha, A.K., Oezguen, N., Bhakat, K.K., Izumi, T., Braun, W. and Mitra, S.  (2008)
greenball.gifUnusual Role of a Cysteine Residue in Substrate Binding and Activity of Human AP-Endonuclease 1.
J. Mol. Biol., 379(1), 28-37.
(109)  Navaratnarajah, C.K., Vongpunsawad, S., Oezguen, N., Stehle, T., Braun, W., Hashiguchi, T., Maenaka, K., Yanagi, Y. and Cattaneo, R.  (2008)
greenball.gifDynamic interaction of the measles virus hemagglutinin with its receptor SLAM.
J. Biol. Chem., 283(17), 11763-11771.
(108)  Negi, S.S., Carol, A., Pandya, S., Braun, W. and Anderson, L.  (2008)
greenball.gifCo-Localization of Glyceraldehyde-3-Phosphate Dehydrogenase with Ferredoxin-NADP Reductase in Pea Leaf Chloroplasts.
J. Struct. Biol., 161(1), 18-30.
(107)  Ivanciuc, O. and Braun, W.  (2007)
greenball.gifRobust quantitative modeling of peptide binding affinities for MHC molecules using physical-chemical descriptors.
Protein Pept. Lett., 14(9), 903-916.

(106)  Negi, S., Schein, C.H., Oezguen, N., Power, T.D. and Braun, W.  (2007)
greenball.gifInterProSurf: a web server for predicting interacting sites on protein surfaces.
Bioinformatics, 23(24), 3397-3399.

(105)  Negi, S. and Braun, W.  (2007)
greenball.gifStatistical analysis of physical-chemical properties and prediction of protein-protein interfaces.
J. Mol. Model., 13(11), 1157-1167.

(104)  Oezguen, N., Schein, C.H., Peddi, S.R.,  Power, T.D., Izumi, T. and Braun, W.  (2007)
greenball.gifA "moving metal mechanism" for substrate cleavage by DNA repair endonuclease APE-1.
Proteins, 68(1), 313-323.

(103)  Schein, C.H. Ivanciuc O. and Braun, W.  (2007)
greenball.gifBioinformatics Approaches to Classifying Allergens and Predicting Cross-reactivity.
Immunol. Allergy Clin. North Am., 27(1), 1-27.

(102)  Schein, C.H., Ivanciuc, O. and Braun, W.  (2006)
greenball.gifStructural Database of Allergenic Proteins (SDAP).
Food Allergy, Edited by S.J. Maleki, copyright 2006 ASM Press, Washington D.C. 257-283.

(101) Negi, S.S., Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W.  (2006)
greenball.gifDetermining functionally important amino acid residues of the E1 protein of Venezuelan equine encephalitis virus.
J. Mol. Model. (Online), 12(6), 921-929.

(100) Schein, C.H., Oezguen, N., Volk, D.E., Garimella, R., Paul, A. and Braun, W.  (2006)
greenball.gifNMR structure of the viral peptide linked to the genome (VPg) of poliovirus.
Peptides,  27(7), 1676-1684.

(99) Muralidhara, B.K., Negi., S., Chin, C.C., Braun, W. and Halpert. J.R.  (2006)
greenball.gifConformational flexibility of mammalian cytochrome P450 2B4 in binding imidazole inhibitors with different ring chemistry and side chains.
  J. Biol. Chem. 281(12), 8051-8061.

(98) Midoro-Horiuti, T., Schein, C.H., Mathura, V., Braun, W., Czerwinski, E.W., Togawa, A., Kondo, Y., Oka, T., Watanabe, M. and Goldblum, R.M. (2006)
greenball.gifStructural basis for epitope sharing between group 1 allergens of cedar pollen.
Mol. Immunol.,  43(6), 509-518.

(97) Schein, C.H., Ivanciuc, O. and Braun, W. (2005)
greenball.gifCommon physical-chemical properties correlate with similar structure of the IgE epitopes of peanut allergens.
J. Agric. Food Chem.,  53(22), 8752-8759.
(96) Schein, C.H., Zhou, B. and Braun, W.  (2005)
greenball.gifStereophysicochemical variability plots highlight conserved antigenic areas in Flaviviruses.
Virol. J.,  2(1):40.

(95) von Messling, V., Oezguen, N., Zheng, Q., Vongpunsawad, S., Braun, W. and Cattaneo. R. (2005)
greenball.gifNearby clusters of hemagglutinin residues sustain SLAM-dependent canine distemper virus entry in peripheral blood mononuclear cells.
J. Virol.,  79, 5857-5862.

(94) Cummins, S.F., Schein, C.H., Xu, Y., Braun, W. and Nagle, G.T. (2005)
greenball.gifMolluscan attractins, a family of water-borne protein pheromones with interspecific attractiveness.
Peptides, 26, 121-129.

(93) Schein, C.H., Zhou, B., Oezguen, N., Mathura, V.S., and Braun, W. (2005)
greenball.gifMolego-based definition of the architecture and specificity of metal binding sites.
Proteins, 58, 200-210.

(92) Painter, S.D., Cummins, S.F., Nichols, A.E., Akalal, D.B.G., Schein, C.H., Braun, W., Smith, J.S., Susswein, A.J., Levy, M., de Boer, P.A.C.M., ter Maat, A., Miller, M.W., Scanlan, C., Milberg, R.M., Sweedler, J.V. and  Nagle, G.T. (2004)
greenball.gifStructural and functional analysis of Aplysa attractins, a family of water-borne protein phermones with interspecific attractiveness.
Proc. Natl. Acad. Sci. USA, 101, 6929-6933.

(91) Ivanciuc, O., Oezguen, N., Mathura, V.S., Schein, C.H., Xu, Y. and Braun, W. (2004)
greenball.gifUsing property based sequence motifs and 3D modeling to determine structure and functional regions of proteins.
Curr. Med. Chem., 11, 583-593.

(90) Izumi, T., Schein, C.H., Oezguen, N., Feng, Y. and Braun, W. (2004)
greenball.gifEffects of backbone contacts 3' to the abasic site on the cleavage and the product binding by human apurinic/apyrimidinic endonuclease (APE1).
Biochemistry, 43, 684-689.

(89) Vongpunsawad, S., Oezgun, N., Braun, W. and Cattaneo R. (2004)
greenball.gifSelectively receptor-blind measles viruses:  identification of residues necessary for SLAM- or CD46-induced fusion and their localization on a new hemagglutinin structural model.
J. Virol., 78, 302-313.

(88) Braun, W. (2003)
greenball.gifDeveloping computational tools for NMR:  the early days of protein NMR.
Magn. Reson. Chem., 41, S51-S55.

(87) Midoro-Horiuti, T., Mathura, V., Schein, C.H., Braun, W., Yu, S., Watanabe, M., Lee, J.C., Brooks, E.G. and Goldblum, R. (2003)
greenball.gifMajor linear IgE epitopes of mountain cedar pollen allergen Jun a 1 map to the pectate lyase catalytic site.
Mol. Immunol., 40, 555-562.

(86) Mathura, V.S., Soman, K.V., Varma, T.K. and Braun, W. (2003)
greenball.gifA multimeric model for murine anti-apoptotic protein Bcl-2 and structural insights for its regulation by post-translational modification.
J. Mol. Model., 9, 298-303.
(85) Ivanciuc, O., Mathura, V., Midoro-Horiuti, T., Braun, W., Goldblum, R. and Schein, C.H. (2003)
greenball.gifDetecting potential IgE-reactive sites on food proteins using a sequence and structure database, SDAP-Food.
J. Agr. Food Chem., 51, 4830-4837.

(84) Garimella, R., Xu, Y., Schein, C.H., Rajarathnam, K., Painter, S.D., Nagle, G.T. and Braun, W. (2003)
greenball.gifNMR solution structure of attractin, a water-borne protein pheromone from the mollusk Aplysia californica.
Biochemistry, 42, 9970-9979.

(83) Mathura, V.S., Schein, C.H. and Braun, W. (2003)
greenball.gifIdentifying property based sequence motifs in protein families and superfamilies:  application to DNase-1 related endonucleases.
Bioinformatics, 19, 1381-1390.

(82) Ivanciuc, O., Schein, C.H. and Braun, W. (2003)
greenball.gifSDAP:  database and computational tools for allergenic proteins.
Nucleic Acids Res., 31, 359-362.

(81) Schein, C.H., Ozgun, N., Izumi, T. and Braun, W. (2002)
greenball.gifTotal sequence decomposition distinguishes functional modules, "molegos" in apurinic/apyrimidinic endonucleases.
BMC Bioinformatics, 3:37.

(80) Ivanciuc, O.I., Schein, C.H. and Braun, W. (2002)
greenball.gifData mining of sequences and 3D structures of allergenic proteins.
Bioinformatics,  18, 1358-1364.

(79) Murtazina, D., Puchkaev, A.V., Schein, C.H., Oezguen, N., Braun, W., Nanavati, A. and Pikuleva, I.A. (2002)
greenball.gifMembrane-protein interactions contribute to efficient 27-hydroxylation of cholesterol by mitochondrial cytochrome P450 27A1.
J. Biol. Chem., 277, 37582-37589.

(78) Hasan, R.J., Pawelczyk, E., Urvil, P.T., Venkatarajan, M.S., Goluszko, P., Kur, J., Selvarangan, R., Nowicki, S., Braun, W.A. and Nowicki, B.J. (2002)
greenball.gifStructure-function analysis of decay-accelerating factor:  identification of residues important for binding of the escherichia coli Dr adhesin and complement regulation.
Infect. Immun., 70, 4485-4493.

(77) Oezguen, N., Adamian, L., Xu, Y., Rajarathnam, K. and Braun, W. (2002)
greenball.gifAutomated assignment and 3D structure calculations using combinations of 2D homonuclear and 3D heteronuclear NOESY spectra.
J. Biomol. NMR, 22, 249-263.

(76) Venkatarajan, M.S. and Braun, W. (2001)
greenball.gifNew quantitative descriptors of amino acids based on multidimensional scaling of a large number of physical-chemical properties.
J. Mol. Model., 7, 445-453.

(75) Soman, K.V., Schein, C.H., Zhu, H. and Braun, W. (2001)
greenball.gifHomology modeling and simulations of nuclease structures.
Methods Mol. Biol., 160, 263-286.

(74) Williams RM, Obradovi Z, Mathura V, Braun W, Garner EC, Young J, Takayama S, Brown CJ, Dunker AK. (2001)
greenball.gifThe protein non-folding problem: amino acid determinants of intrinsic order and disorder.
Pac. Symp. Biocomput., 89-100.

(73) Soman, K. V. and W.Braun (2001).
greenball.gifDetermining the 3-D fold of a protein from approximate constraints: a simulation study.
Cell Biochem. Biophys., 34,  283-304.

(72) Schein, C.H., Nagle, G.T., Page, J. Sweedler, J.V., Xu, Y., Painter, S.D. and Braun, W. (2001)
greenball.gifAplysia attractin: biophysical characterization and modeling of a water-borne pheromone.
Biophys. J., 81, 463-472.

(71) Xu, Y., Jablonsky, M. J., Jackson, P. L., Braun, W. and Krishna, N. R. (2001)
greenball.gifAutomatic assignment of NOESY cross peaks and determination of the protein structure of a New World scorpion neurotoxin using NOAH/DIAMOD.
J. Magn. Reson., 148, 35-46.

(70) Soman, K.V., Schein, C.H., Zhu, H. and Braun, W. (2001)
greenball.gifHomology modeling and simulations of nuclease structures.
In Nuclease Methods and Protocols, Schein, C.H. (ed) for series Methods in Molecular Biology
Vol. 160, 2001, Humana Press, Totowa, N.J., pp. 263-286.
(69) Midoro-Horiuti, T M. Goldblum, R M. Schein, C H. Soman, K V. Braun, W. Kurosky, A. Brooks, E G. (2000)
greenball.gifStructural Analysis of Jun a 3, a Potentially Inducible Allergen of Mountain Cedar Pollen.
J. Allergy Clin. Immun., 105 (1): 965 Part 2 Suppl. S.

(68) Zhu, H., Schein, C., and W.Braun (2000).
greenball.gifMASIA: recognition of common patterns and properties in multiple aligned protein sequences.
Bioinformatics, 16, 950-951.

(67) Soman, K.V., Midoro-Horiuti, T., Ferreon, J.C., Goldblum, R.M., Brooks, E.G., Kurosky,
A., Braun, W. and Schein, C.H. (2000).
greenball.gifHomology modeling and characterization of Ig E binding epitopes of mountain cedar allergen Jun a 3.
Biophys. J., 79, 1601-1609.

(66) Zhu, H., Schein, C.H. and Braun, W. (1999)
greenball.gifHomology modeling and molecular dynamics simulations of PBCV-1 glycosylase complexed with UV-damaged DNA .
J. Mol. Model, 5, 302-316.

(65) Xu, Y., Wu, J., Gorenstein, D. and Braun, W. (1999)
greenball.gifAutomated 2D NOESY assignment and structure calculation of crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs.
J. Magn. Reson., 136, 76-85.

(64) Xu, Y., Schein, Ch. and Braun, W. (1999)
greenball.gifCombined automated assignment of NOESY spectra and three-dimensional structure calculation of proteins.
Biological Magnetic Resonance Vol. 17, pp 37-79
(L.J. Berliner & N. Rama Krishna, eds) Kluwer Academic/Plenum Publishing Corporation, New York, NY.

(63) Zhu, H. and Braun, W. (1999)
greenball.gifSequence specificity, statistical potentials and 3D structure prediction with self-correcting distance geometry calculations of beta-sheet formation in proteins.
Protein Science, 8, 326-342.

(62) Friesen, R.H.E., Castellani, R.J., Lee, J.C. and Braun, W. (1998)
greenball.gifAllostery in rabbit pyruvate kinase: development of a strategy to elucidate the mechanism.
Biochemistry, 37, 15266-15276.

(61) Fraczkiewicz, R. and Braun, W. (1998)
greenball.gifExact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules.
J. Comp. Chem., 19, 319-333.

(60) Buchholz, C.J., Koller, D., Devaux, P., Mumenthaler, Ch., Schneider-Schaulis, J., Braun, W., Gerlier, D., and Cattaneo, R. (1997)
greenball.gifMapping of the primary binding site of measles virus to its receptor CD46.
J. Biol. Chem., 272, 22072-22079.

(59) Mumenthaler, Ch., Güntert, P., Braun, W. and Wüthrich, K. (1997)
greenball.gifAutomated combined assignment of NOESY spectra and three-dimensional protein structure determination.
J. Biomol. NMR, 10, 351-362.
(58) Mumenthaler, Ch., Schneider, U., Buchholz, Ch. J., Koller, D., Braun, W. and Cattaneo, R. (1997 )
greenball.gifA 3D model for the measles virus receptor CD46 based on homology modeling, Monte Carlo simulations and hemagglutinin binding studies.
Protein Sci., 6, 588-597.
(57) Braun, W. (1997)
greenball.gifIn "Computer Simulations of Biomolecular Systems"
Vol.3. Chapter "Incorporation of Solvation Energy Contributions for energy refinement
and folding of proteins". pp. 270-283. (W. F. van Gunsteren, P. K. Weiner
and A.J. Wilkinson Eds) KLUWER/ESCOM, Dordrecht, The Netherlands.
(56) Mumenthaler, Ch. and Braun, W. (1995)
greenball.gifAutomated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometry.
J. Mol. Biol., 254, 465-480.
(55) Mumenthaler, Ch. and Braun, W. (1995)
greenball.gifFolding of globular proteins by energy minimization and Monte Carlo simulations with hydrophobic surface area potentials.
J. Mol. Modeling, 1, 1-10.
(54) Mumenthaler, Ch. and Braun, W. (1995)
greenball.gifPredicting the helix packing of globular proteins by self-correcting distance geometry.
Protein Science, 4, 863-871.
(53) Braun, W., Kallen, J., Mikol, V., Walkinshaw, M.D. and Wüthrich, K. (1995)
greenball.gifThree dimensional structure and action of immunosuppressants and their immunophilins.
FASEB Journal, 9, 63-72.
(52) Braun, W. and Mumenthaler, Ch. (1994)
Predicting three-dimensional protein structures by distance geometry and Monte
Carlo simulations: What can we expect from parallel computers?
Proceedings 6th Joint EPS-APS International Conference on Physics Computing, Lugano, CH, Aug.22-Aug.26, 1994.
(51) Altschuh, D., Braun, W., Kallen, J., Mikol, V., Spitzfaden, C., Thierry, J.C., Vix, O., Walkinshaw, M.D. and Wüthrich, K. (1994)
greenball.gifConformational polymorphism of cyclosporin A.
Structure, 2, 963-972.
(50) Spitzfaden, C., Braun, W., Wider, G., Widmer, H. and Wüthrich, K. (1994)
greenball.gifDetermination of the NMR solution structure of the Cyclophilin-Cyclosporin A complex.
J. Biomol. NMR, 4, 463-482.
(49) Hänggi, G. and Braun, W. (1994)
greenball.gifPattern recognition and self-correcting distance geometry calculations applied to myohemerythrin.
FEBS Letters, 344, 147-153.
(48) von Freyberg, B., Richmond, T.J. and Braun, W. (1993)
greenball.gifSurface area included in energy refinement of proteins: A comparative study on atomic solvation parameters.
J. Mol. Biol., 233, 275-292.

(47) Widmer, H., Widmer, A. and Braun, W. (1993)
greenball.gifExtensive distance geometry calculations with different NOE calibrations. New criteria for structure selection applied to Sandostatin and BPTI.
J. Biomol. NMR, 3, 307-324.

(46) von Freyberg, B. and Braun, W. (1993)
greenball.gifMinimization of empirical energy functions in proteins including hydrophobic surface area effects.
J. Comp. Chem., 14, 510-521.
(45) Braun, W., Vasak, M., Robbins, A.H., Stout, C.D., Wagner, G., Kägi, J.H.R. and Wüthrich, K. (1992)
greenball.gifComparison of the NMR solution structure and the X-ray crystal structure of rat metallothionein-2.
Proc. Natl. Acad. Sci, USA 89, 10124-10128.
(44) Spitzfaden, C., Weber, H.P., Braun, W., Kallen, J., Wider,G. Widmer, H., Walkinshaw, M.D. and Wüthrich, K. (1992)
greenball.gifCyclosporin A - cyclophilin complex: a model based on X-ray and NMR data.
FEBS Letters, 300, 291-300.
(43) Wüthrich, K., von Freyberg, B., Weber, C., Wider G., Traber R., Widmer, H. and Braun, W. (1991)
greenball.gifReceptor-Induced Conformation Change of the Immuno-suppressant Cyclosporin- A.
Science, 254, (5034), 953-954.
(42) Mertz, J.E., Güntert, P., Wüthrich, K. and Braun, W. (1991)
greenball.gifComplete relaxation matrix refinement of NMR structures of proteins using analytically calculated dihedral angle derivatives of NOE intensities.
J. Biomol. NMR, 1, 257-269.
(41) Braun, W. (1991)
Distance Geometry in distance and torsion angle space. Flexibility, convergence and sampling properties
Proc. IUPAB Satellite Meeting in Whistler, Canada: "Expanding Frontiers in Polypeptide and Protein Structural
Research" (V. Renugopalakrishnan, P.R. Carey, S.G. Huang, A. Storer and I.C.P. Smith ed) Escom, Leiden.
(40) Weber, Ch., Wider, G., von Freyberg, B., Traber, R., Braun, W., Widmer, H. & Wüthrich, K. (1991)
greenball.gifThe NMR structure of cyclosporin A bound to cyclophilin in aqueous solution.
Biochemistry, 30, 6563-6574.
(39) von Freyberg, B. & Braun, W. (1991)
greenball.gifEfficient search for all low energy conformations of polypeptides by Monte Carlo methods.
J. Comp. Chem., 12, 1065-1076.
(38) Braun, W. (1991)
Distance Geometry in torsion angle space: New developments and applications. In Computational aspects of the study of biological macromolecules by NMR Proc.
NATO Workshop at Il Ciocco (Hoch J. ed), pp. 199-208, Plenum Press, New York.

(37) Darbon, H., Weber, Ch. & Braun, W. (1991)
greenball.gifTwo-dimensional 1H nuclear magnetic resonance study of AaH IT, an anti-insect toxin from the scorpion Androctonus australis Hector. Sequential resonance assignments and folding of the polypeptide chain.
Biochemistry, 30, 1836-1845.

(36) Güntert, P., Braun, W. & Wüthrich, K. (1991)
greenball.gifEfficient computation of three dimensional protein structures in solution from NMR data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA.
J. Mol. Biol., 217, 517-530.

(35) Senn, H., Loosli, H.R., Sanner, M. & Braun, W. (1990)
greenball.gifConformational studies of cyclic peptide structures in solution from 1H-NMR data by distance geometry calculation and restrained energy minimization.
Biopolymers, 29, 1387-1400.

(34) Billeter, M., Schaumann, Th., Braun, W., & Wüthrich, K. (1990)
greenball.gifRestrained energy refinement with two different algorithms and force fields of the structure of a-amylase inhibitor Tendamistat determined by NMR in solution.
Biopolymers, 29, 695-706.
(33) Schaumann, Th., Braun, W. & Wüthrich, K. (1990)
greenball.gifA program, FANTOM, for energy refinement of Polypeptides and Proteins using a Newton-Raphson Minimizer in the torsion angle space.
Biopolymers, 29, 679-694.
(32) Kobayashi, Y., Ohkubo, T., Kyogoku, Y., Nishiuchi, Y., Sakakibara, S., Braun, W. & Go, N. (1989)
greenball.gifSolution conformation of conotoxin GI determined by 1H nuclear magnetic resonance spectroscopy and distance geometry calculations.
Biochemistry, 28, 4853-4861.
(31) Sanner, M., Widmer, A., Senn, H. & Braun, W. (1989)
greenball.gifGEOM, a new tool for molecular modelling based on distance geometry calculations with NMR data.
J. Comp. Aided Molecular Design, 3, 195-210.

(30) Billeter, M., Kline, A.D., Braun, W., Huber, R. & Wüthrich, K. (1989)
greenball.gifComparison of the high-resolution structures of the a-amylase inhibitor Tendamistat determined by NMR in solution and by X-ray diffraction in single crystals.
J. Mol. Biol., 206, 677-687.
(29) Braun, W., Epp, O., Wüthrich, K. & Huber, R. (1989)
greenball.gifSolution of the Phase Problem in the X-ray Diffraction Method with the NMR structure as initial model: Patterson search and refinement of the a-Amylase Inhibitor Tendamistat.
J. Mol. Biol., 206, 669-676.

(28) Güntert, P., Braun, W., Billeter, M. & Wüthrich, K. (1989)
greenball.gifAutomated stereospecific 1H- NMR assignments and their impact on the precision of protein structure determination in solution.
J. Amer. Chem. Soc., 111, 3997-4004.

(27) Kline, A.D., Braun, W. & Wüthrich, K. (1988)
greenball.gifDetermination of the Complete Three- Dimensional Structure of the a-Amylase Inhibitor Tendamistat in Aqueous Solution by Nuclear Magnetic Resonance and Distance Geometry.
J. Mol. Biol., 204, 675-724.
(26) Schultze, P., Wörgötter, E., Braun, W., Wagner, G., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1988)
greenball.gifThe Conformation of [Cd7]-metallothionein-2 from rat liver in aqueous solution determined by nuclear magnetic resonance.
J. Mol. Biol., 203, 251-268.
(25) Steinmetz, W.E., Bougis, P., Rochat, H., Redwine, O.D., Braun, W. & Wüthrich K. (1988)
greenball.gif1H Nuclear magnetic resonance studies of the three-dimensional structure of the cardiotoxin CTXIIb from Naja Mossambica in aqueous solution and comparison with the crystal structures of homologous toxins.
Eur. J. Biochem., 172, 101-116.

(24) Arseniev, A., Schultze, P., Wörgötter, E., Braun, W., Wagner, G., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1988)
greenball.gifThree-dimensional structure of rabbit liver [Cd7]-metallothionein-2a in aqueous solution  determined by nuclear magnetic resonance.
J. Mol. Biol., 201, 637-657.
(23) Wagner, G., Frey, M.H., Neuhaus, D., Worgotter, E., Braun, W., Vasak, M., Kagi, J.H., Wuthrich, K. (1987)
greenball.gifSpatial Structure of Rabbit Liver Metallothionein-2 in Solution by NMR.
Experientia Suppl., 52, 149-157.

(22) Braun, W. (1987)
Calculation of Protein Structures from NMR Data.
In Lecture Notes in Physics 284 (Baeriswyl, D., Droz, M., Malaspinas, A. & Martinoli, P., eds) pp. 32-50, Springer Verlag, New York.
(21) Braun, W. (1987)
greenball.gifDistance Geometry and related methods for protein structure determination from NMR data.
Quart. Rev. Biophysics ,19, 115-157.
(20) Wagner, G., Braun, W., Havel, T.F., Schaumann, T., Go, N. & Wüthrich, K. (1987)
greenball.gifProtein structures in solution by nuclear magnetic resonance and distance geometry: the polypeptide fold of the basic pancreatic trypsin inhibitor determined using two different algorithms, DISGEO and DISMAN.
J. Mol. Biol., 196, 611-641.
(19) Braun, W. (1987)
greenball.gifLocal deformation studies of chain molecules. Differential conditions for changes of dihedral angles.
Biopolymers, 26, 1691-1704.
(18) Kline, A.D., Braun, W. & Wüthrich, K. (1986)
greenball.gifStudies by 1H nuclear magnetic resonance and distance geometry of the solution
conformation of the a-amylase inhibitor Tendamistat.

J. Mol. Biol., 189, 377-382.
(17) Braun, W., Wagner, G., Wörgötter, E., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1986)
greenball.gifPolypeptide fold in the two metal clusters of Metallothionein-2 by nuclear magnetic resonance and distance geometry.
J. Mol. Biol., 187,125-129.
(16) Ohkubo, T., Kobayashi, Y., Shimonishi, Y., Kyogoku, Y., Braun, W. & Go, N. (1986)
greenball.gifA Conformational Study of Polypeptides in Solution by 1H-NMR and Distance Geometry.
Biopolymers, 25 (S), 123-134.
(15) Kobayashi, Y., Ohkubo, T., Kyogoku, Y., Nishiuchi, Y., Sakakibara, S., Braun, W. & Go, N. (1986)
greenball.gifConformational analysis of conotoxin GI determined by distance geometry.
Peptide Chemistry, 1986 (Miyazawa T. ed.) 127-130.
(14) Wagner, G., Frey, M.H., Neuhaus, D., Wörgötter, E., Braun, W., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1985)
In Proc. Second International Meeting on Metallothionein and Other Low Molecular Weight Metal-binding Proteins.
(Zürich, 1985; Kägi J.H.R. & Kojima Y. ed.) Birkhäuser Verlag, Basel.
(13) Braun, W. & Go, N. (1985)
greenball.gifCalculation of protein conformations by proton-proton distance constraints. A new efficient algorithm.
J. Mol. Biol., 186, 611-626.
(12) Wüthrich, K., Billeter, M. & Braun, W. (1984)
greenball.gifPolypeptide secondary structure determination by nuclear magnetic resonance observation of short proton-proton distances.
J. Mol. Biol., 180, 715-740.

(11) Braun, W., Yoshioki, S. & Go, N. (1984)
greenball.gifFormulation of static and dynamic conformational energy analysis of biopolymer systems consisting of two or more molecules.
J. Phys. Soc. Japan, 53, 3269-3275.

(10) Abe, H., Braun, W., Noguti, T. & Go, N. (1984)
greenball.gifRapid calculation of first and second derivatives of conformational energy with respect to
dihedral angles for proteins. General recurrent equations.

Computers & Chemistry, 8, 239-247.

(9) Wüthrich, K., Billeter, M. & Braun, W. (1983)
greenball.gifPseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton- proton distance constraints with nuclear magnetic resonance.
J. Mol. Biol., 169, 949-961.
(8) Braun, W., Wider, G., Lee, K.H. & Wüthrich, K. (1983)
greenball.gifConformation of glucagon in a lipid-water interphase by 1H nuclear magnetic resonance.
J. Mol. Biol., 169, 921-948.

(7) Braun, W. (1983)
greenball.gifRepresentation of short and long-range handedness in protein structures by signed distance maps.
J. Mol. Biol., 163, 613-621.

(6) Brown, L.R., Braun, W., Anil Kumar & Wüthrich, K. (1982)
greenball.gifHigh resolution nuclear magnetic resonance studies of the conformation and orientation of melittin bound to a lipid- water interface.
Biophys. J., 37, 319-328.

(5) Billeter, M., Braun, W. & Wüthrich, K. (1982)
greenball.gifSequential resonance assignments in protein 1H nuclear magnetic resonance spectra. Computation of sterically allowed proton-proton distances and statistical analysis of proton-proton distances in single crystal protein conformations.
J. Mol. Biol., 155, 321-346.
(4) Wüthrich, K., Wider, G., Wagner, G. & Braun, W. (1982)
greenball.gifSequential resonance assignments as a basis for determination of spatial protein structures
by high resolution proton nuclear magnetic resonance.

J. Mol. Biol., 155, 311-319.

(3) Braun, W., Bösch, C., Brown, L.R., Go, N. & Wüthrich, K. (1981)
greenball.gifCombined use of proton- proton Overhauser enhancements and a distance geometry algorithm for determination  of polypeptide conformations. Application to micelle-bound glucagon.
Biochim. Biophys. Acta, 667, 377-396.

(2) Wüthrich, K., Wagner, G., Richarz, R. & Braun, W. (1980)
greenball.gifCorrelation between internal mobility and stability of globular proteins.
Biophys. J., 32, 549-560.

(1) Braun, W. & Hepp, K. (1977)
greenball.gifThe Vlasov dynamics and its fluctuations in the 1/N limit of interacting classical particles.
Commun. Math. Phys., 56, 101-113.