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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Subject: Re: missing layer of electron density
From: ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-01

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From: jstroud {- at -} MBI {- dot -} UCLA {- dot -} EDU
Date: 2007-03-01

Subject: Re: software to calculate VDW interactions between small molecule and protein
From: ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-01

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

CCP4bb navigation

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

Previous message:
Subject: Re: missing layer of electron density
From: ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-01

Next message:
Subject: Re: Swiss humour - no laughing matter? (Re: process SeMet labelled data)
From: jstroud {- at -} MBI {- dot -} UCLA {- dot -} EDU
Date: 2007-03-01