STRUCTURAL
BIOINFORMATICS
TUTORIAL PAGE
by Vlad Kholodovych
LECTURE SLIDES:
Docking PROJECT: DRUG
DESIGN
Due date:
11pm Sunday December 13, 2009
JMedChem:
Instructions for Authors Setting
a VNC connection from outside of UMDNJ click here
Tutorial: PDF file Tutorial: PDF file Ouabain structure for MOE Tutorial: ouabain.mol2 MOE & GOLD Tutorial: MOE&GOLD
PDF DOCK
6.0 Tutorial - LINUX version: PDF file
Files for DOCK tutorial: grid.in,
dock.in AutoDockTools (ADT) Guide - LINUX version: PDF file GOLD (old)
Tutorial: PDF
file Similarity-Dissimilarity Tutorial: PDF file Files for Similarity-Dissimilarity Tutorial: Database ER.mdb GRASP Tutorial : PDF file Files for GRASP tutorial: cef_pep.pdb VLAD KHOLODOVYCH,
PH.D. Research Teaching Specialist
MOLBANK for project: molbank.tar, molbank.zip
Note: Download and unpack: tar -xvf molbank.tar
INTRODUCTION:
MOLECULAR MECHANICS
CONFORMATIONAL SEARCH DOCKING
MOLECULAR SIMILARITY
Query 1 , Query 2, Query 3 OTHER
Department of Pharmacology
Robert Wood Johnson Medical School
University of Medicine & Dentistry
of New Jersey (UMDNJ)
675 Hoes Lane
Piscataway, NJ 08854
Phone: 732-235-3229
Fax: 732-235-3475
e-Fax: 240-597-7268
e-mail: kholodvl@umdnj.edu
