Professional Documents
Culture Documents
giribio@scientist.com
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Overview
• Introduction
• Drug Discovery
• Virtual Screening
– Types
– Screening Process
• Discovery of New Inhibitors
• Interpretations
• Tools / Softwares
• Summary
3/21/2011 1:25 PM Girinath G. Pillai @ VIT, Vellore 2
Bioinformatics ?
Why? & Where?
Molecular Biology; Information Science
VS/HTS
Docking software
Ligand Receptor
ACD
WDI
NCI
X-ray Crystallography
NMR
homology modeling
Ranking
HITS
Kubinyi, H.:
“Success Stories of Computer-Aided Design”, in:
Computer Applications in Pharmaceutical Research and Development, Sean Ekins (Ed.), Wiley
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