[AMBER] Docking before MD of scratch ligands OR not

From: muhammad tahir ayub <tahirgp0.gmail.com>
Date: Tue, 1 Dec 2015 12:49:57 +0500

Dear Amber Users
                              I have performed 3D-QSAR studies on TRICYCLIC
ANILINOPYRIMIDINES derivatives and designed 6 new inhibitors in the light
of the newly designed model. I want to perform the Molecular Dynamics
Simulation of the newly designed inhibitors thus is it necessary to dock
the scratch ligands before the preparation from antechamber tool

Muhammad Tahir Ayub
Junior Research Fellow
Lab No. P-133, Computational Chemistry Unit,
Dr. Panjwani Center for Molecular Medicine and Drug Research,
International Center for Chemical and Biological Sciences,
University of Karachi-75270.
UAN: (92-21) 111-222-292 Ext. (309)
E-mail: tahirgp0.gmail.com
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Received on Tue Dec 01 2015 - 00:00:03 PST
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