Re: [AMBER] computational scanning

From: Gould, Ian R <>
Date: Wed, 25 Apr 2012 15:15:45 +0000

Dear Hector,

You may want to take a look at our recent paper, we don't mutate to serine
or cysteine but we have explored a number of different mutations other
than alanine.

Article citation: Chem. Sci., 2012, 3 (5), 1503 - 1511

Title: Mutational Locally Enhanced Sampling (MULES) for quantitative
prediction of the effects of mutations at protein-protein interfaces


Women love us for our defects. If we have enough of them, they will
forgive us everything, even our intellects.
Oscar Wilde,
Dr Ian R Gould
Reader in Computational Chemical Biology
Department of Chemistry
Imperial College London
Exhibition Road
Tel +44 (0)207 594 5809
On 25/04/2012 16:06, "Hector A. Baldoni" <> wrote:
>Dear amber users;
>I want to know your opinions about the possibility and if its conceptually
>right to apply the computational alanine scanning formalism to make
>computational cysteine or serine scanning.
>Thank you very much.
>Hector A. Baldoni
> Dr. Hector A. Baldoni
> Area de Quimica General e Inorganica
> Universidad Nacional de San Luis
> Chacabuco 917 (D5700BWS)
> San Luis - Argentina
> hbaldoni at unsl dot edu dot ar
> Tel.:+54-(0)2652-423789 ext. 157
>AMBER mailing list
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Received on Wed Apr 25 2012 - 08:30:04 PDT
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