Ligand-Protein Docking

AutoDock helps tackle two AIDS targets, HIV Protease and HIV Integrase

Submitted by InhibOx on March 8, 2010 - 19:29

Oxford, UK — 11th March, 2010.

The Scripps Research Institute and the FightAIDS@Home project announce new publications and the discovery of two new anti-HIV compounds.

A recent publication in the Journal of Molecular Biology, on which leading InhibOx scientist Dr. Garrett M. Morris is a co-author, describes a dynamic model of HIV integrase inhibition and drug resistance. This work employed the ligand-protein docking program, AutoDock, of which Garrett is a key developer.

Fragment-based Drug Discovery
Lead discovery
Ligand-Protein Docking
Virtual screening

Ligand-Protein Docking

Introduction

Ligand-protein docking methods attempt to identify optimal positions, orientations and conformations of a ligand or small molecule with respect to a given protein receptor or enzyme. InhibOx offers extensive expertise and a range of solutions in ligand-protein docking.