National Workshop On Molecular Modeling for Drug Designing

National Workshop On Molecular Modeling for Drug Designing

March 13th -17th, 2012

Under

Bioinformatics Infrastructure Facility of
Department of Biotechnology, New Delhi
&
Special Interest Group on Bioinformatics of
Computer Society of India

Organized by

Department of Applied Mathematics & Humanities
Sardar Vallabhbhai National Institute of Technology, Surat

Topics/Contents to be Covered
 System biology and its role in Drug Designing
 Molecule structure representation and visualization
 Structure databases: PDB, CATH, SCOP, FSSP, PubChem
 Molecule Drawing tools: Chemsketch and JDraw
 Structure optimization: Molecular mechanics and dynamics. Force field
 Computational methods in protein folding study
 Protein structure prediction: Homology modeling and threading
 Computational methods in Molecular docking: Protein-protein, drug-protein, DNA-Protein
 Methods in drug designing
 QSAR study
 Case studies.
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