Re: [AMBER] Force Field

From: David A Case <>
Date: Fri, 21 Aug 2020 12:47:47 -0400

On Fri, Aug 21, 2020, ankita mehta wrote:

>I'm trying to fold a protein through Molecular Dynamics Simulations.
>Can anyone pls guide me which force field would be best suited for protein
>folding simulations.

A bit dated, but still my favorite Amber-specific contribution:

%A H. Nguyen
%A J. Maier
%A H. Huang
%A V. Perrone
%A C. Simmerling
%T Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent
%J J. Am. Chem. Soc.
%V 136
%P 13959-13962
%D 2014

Note that it is a particular force field + implicit solvent model that
is being tested here.


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Received on Fri Aug 21 2020 - 10:00:03 PDT
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