'Binding mode' diaporamas de présentation

454 views • 37 slides

Computer Aided Drug Design

Computer Aided Drug Design. Hanoch Senderowitz Department of Chemistry Bar Ilan University. BIU-Valencia Workshop April 2010. Computer Aided Drug Discovery. Structure/ Sequence. Structure-based Modeling. Ligand-based Modeling. Known Ligands. Screening. Virtual Library. Scoring.

2.86k views • 23 slides

Molecular Docking Using GOLD

Molecular Docking Using GOLD. Tommi Suvitaival Seppo Virtanen S-114.2500 Basics for Biosystems of the Cell Fall 2006. What is molecular docking?. How a flexible ligand binds to a protein Ligand Small molecule compared to the protein Protein A macromolecule

1.38k views • 12 slides

Richard S. L. Stein CS 379a March 14, 2006

A Multistep Approach to Structure-Based Drug Design: Studying Ligand Binding at the Human Neutrophil Elastase (T. Steinbrecher, D. A. Case, and A. Labahn). Richard S. L. Stein CS 379a March 14, 2006. Modeling of HNE Inhibition.

158 views • 5 slides