Virtual Receptor-Ligand Docking at ABCC






Introduction

Introduction


Preparation of NCI-Diversity Set

Preparation of NCI-DIVERSITY Set


Atom-Types in NCI-Diversity set

Atom-types in the AutoDock prepared NCI-Diversity set


Receptor Preparation

Receptor Setup


Virtual Docking at ABCC

Virtual AutoDocking at ABCC


Virtual Docking using AutoDock

Virtual Docking Using AutoDock


Acknowledgements

Acknowledgements




S. Ravichandran, Ph.D.
Bldg 430, Room 227
Advanced Biomedical Computing Center
National Cancer Institute
Frederick, MD 21702

Email: sravi@ncifcrf.gov
Web: http://nciiris.ncifcrf.gov/~ravichas
Voice:   301-846-1991
Fax:     301-846-5762

Updated  Jan 11, 2007