RE: Can I do protein-ligand docking using NAMD?

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Feb 16 2011 - 01:08:36 CST

Situs is for fitting to EM maps, but NAMD also cannot do protein-ligand docking. The first program that comes to my mind is Autodock.

 

 

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Bo Liu
Sent: Wednesday, February 16, 2011 12:31 AM
To: 李佳键
Cc: namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: Can I do protein-ligand docking using NAMD?

 

NAMD cannot do docking; I let situs do docking for NAMD.

On Tue, Feb 15, 2011 at 11:32 PM, 李佳键 <dllizhongwei_at_gmail.com> wrote:

Dear All:

 

    Is there anyone who knows how to use NAMD to do docking? Your advice will be greatly appreciated!

   

-- 
========================================
Bo Liu
Theoretical and Computational Biophysics Group
3027 Beckman Institute
University of Illinois at Urbana-Champaign
405 N. Mathews
Urbana, IL 61801
http://www.ks.uiuc.edu/~boliu
========================================

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:35 CST