Re: [AMBER] SASA Plot

From: setyanto md <stwahyudi.md.gmail.com>
Date: Wed, 7 Mar 2012 15:51:29 +0700

Thanks Dr. Bruni Luis this is so useful.

May I ask about this method and also LCPO method.

What is the algortihm used by MOLSPACE and LCPO

Thank you
Setyanto

2012/3/6 Bruno Luís Pinto de Oliveira <boliveira.itn.pt>

> Dear John
>
> You can look at Molspace (
> http://compbiochem.org/Software/molspace/Home.html ).
> This VMD plug-in can compute the residues surface and cavities volume.
>
> Best regards
>
> .....................................................................................................................................................
> Bruno L. Oliveira
> Radiopharmaceutical Sciences Group
> Chemistry Department , ITN
> http://www.itn.pt/sec/qui/qir/uk_qir_index.htm
> http://www.boliveira.com
>
> ________________________________________
> De: Beale, John [John.Beale.stlcop.edu]
> Enviado: terça-feira, 6 de Março de 2012 11:08
> Para: amber.ambermd.org
> Assunto: [AMBER] SASA Plot
>
> I need to compute and plot the SASA on a per-residue basis for my peptide.
> Can someone provide me with a method for doing this?
>
> Thanks!
>
> John
>
> John M. Beale, Jr., Ph.D.
> Professor of Medicinal Chemistry and Pharmacognosy
> Saint Louis College of Pharmacy
> Department of Neurology, Washington University School of Medicine
> Office: 314-446-8461
> Cell: 314-315-0409
> FAX: 314-446-8460
> John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
> bealej.neuro.wustl.edu<mailto:bealej.neuro.wustl.edu>
>
>
>
>
>
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Received on Wed Mar 07 2012 - 01:00:02 PST
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