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

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: P {- dot -} K {- dot -} Bryant {- at -} MANCHESTER {- dot -} AC {- dot -} UK
Date: 2007-02-28

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Subject: Re: software to calculate VDW interactions between small molecule and protein
From: tadeusz {- dot -} j {- dot -} skarzynski {- at -} GSK {- dot -} COM
Date: 2007-02-28

CONTACT from the CCP4 suite can do this - have a look at the documentation
and examples.

Tadeusz

"mathias"
Sent by: "CCP4 bulletin board"
27-Feb-2007 18:43
Please respond to "mathias"

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

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

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Filament lifetime on Rigaku Micromax007
From: P {- dot -} K {- dot -} Bryant {- at -} MANCHESTER {- dot -} AC {- dot -} UK
Date: 2007-02-28

Next message:
Subject: process SeMet labelled data
From: 2shivesh {- at -} GMAIL {- dot -} COM
Date: 2007-02-28