Chandra:SE 302

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SE 302: Computational Approaches to Drug Discovery


Introduction to the process of drug and vaccine discovery, Principles of drug action, Drug and target structures, Brief introduction to systems biology, pharmacology and chemoinformatics, Use of genomics and proteomics for understanding diseases at the molecular level, Sequence-structure-function relationship in proteins, Strategies for target identification and validation, protein structure prediction, Molecular modeling protein-ligand interactions, Structure-based ligand design, Lead identification, design and lead optimization, Challenges in drug and vaccine discovery, Relevant algorithms and topics from currentliterature.


  • Mount DW, Bioinformatics - Sequence and Genome Analysis, Cold Spring Harbor Laboratory Press, 2001.
  • Mannhold R, Kubinyi H, Timmerman H (Editors), Bioinformatics - From Genomes to Drugs Vol.I & II, Wiley - VCH, 2002
  • Flower, D R (Editor), Drug Design - cutting edges approaches, Royal Society of Chemistry, 2002.
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