Research
Our work integrates computation and experiment to understand protein function and immune recognition.
Research Projects- PCPMer
is a software tool for automatic motif detections of a
protein family
and identifications of related family members in
protein sequence
databases. (Bin Zhou, Venkatarajan Mathura, Petr Danecek, Catherine H. Schein and Werner Braun).
- Structural Biology of Allergens: Investigations regarding sequence and structural determinants of allergenicity, allergens motifs, and database mining for the identification of potential allergens (Ovidiu Ivanciuc, Surendra Negi, Catherine H. Schein, Terumi Midoro-Horiuti, Randall M. Goldblum, Edward G. Brooks, Werner Braun)
- DNA Repair: Molecular recognition of DNA damage sites by apurinic/apyrimidinic endonucleases (Catherine H. Schein, Numan Oezguen, Tadehide Izumi, David Power, Werner Braun)
- FANTOM:
software for efficient molecular modeling of proteins
in torsional
angle space
(Kizhake Soman and Werner Braun). - NOAH/DIAMOD, a suit of programs have been developed for automated 2D or 3D protein NOESY spectrum assignment and 3D structure determination (Numan Oezguen, Catherine H. Schein and Werner Braun).
- MPACK, Homology Modeling : ( Venkatarajan Mathura, Surendra Negi, Numan Oezguen and Werner Braun).
- MASIA/DIAMOD
development:
An expert system which combines Self-Correcting
Distance Geometry
calculations with a pattern recognition algorithm to
model 3D
structures of protein
(Catherine H. Schein and Werner Braun). - Motif and Molego Analysis Project: Developing a GUI-interfaced program to search for consistent patterns in multiple aligned sequences. (Surendra Negi, Catherine H. Schein and Werner Braun).
- Bacillus
anthracis
Project:
Sequence decomposition of the 3 toxins of B. anthracis is
used to: identify
conserved residues and likely interacting protein
sites, yield
conserved functional areas that differ from mammalian
proteins with
similar activities and to guide design of novel
inhibitors to 1)
complex formation and 2) catalytic activities
(Deliang Chen, Catherine H. Schein, Johnny W. Peterson and Werner Braun).