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Re: [ccp4bb] software to calculate VDW interactions between small molecule and protein
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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
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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
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Department of Biochemistry and Molecular Biology
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