Quick navigation:        Home   |    Site Map   ||    References   |    Biography   ||    Copyright   |    Other copyright   |    Contact us   |   
Protein structure
 

Re: [ccp4bb] software to calculate VDW interactions between small molecule and protein
 

Basic tutorials: 		 
 

CCP4bb navigation

CCP4bb <-- 2007 <-- March 2007 <-- 01 March 2007
Previous message:
Subject: RMSD of pairs of atoms?
From: jyl {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-03-01 		Next message:
Subject: Re: process SeMet labelled data
From: pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-03-01


Subject: Re: software to calculate VDW interactions between small molecule and protein
From: James {- dot -} Whisstock {- at -} MED {- dot -} MONASH {- dot -} EDU {- dot -} AU
Date: 2007-03-01
HI - try the program contact from the ccp4 suite.

http://www.ccp4.ac.uk/html/contact.html

J

Eleanor Dodson wrote:>
> mathias wrote:
>> Dear all,
>>
>> Can anyone of you guys recommend free software, or any open access
>> internet server, to calculate VDW interactions of small molecules
>> binding to protein. The only information I need is an output file
>> which lists all amino acids of the target protein which make VDW
>> interactions with the binding small molecule.
>> Thank you very much for your help and recommendations,
>>
>> Mathias
>>
>>
> Have you tried the MSD Pisa server at the EBI ? It lists all sorts of
> information?
>
> Eleanor
--
Professor James Whisstock
NHMRC Principal Research Fellow / Monash University Senior Logan fellow

Department of Biochemistry and Molecular Biology
Monash University, Clayton Campus, PO Box 13d, VIC, 3800, Australia
+613 9905 3747 (Phone)
+613 9905 4699 (Fax)
+61 418 170 585 (Mobile)
ProteinCrystallography.org: Copyright 2006-2007 by Quid United Ltd