[AMBER] Best Force Field for Beta Peptides

From: Zachary Davis <zsd.purdue.edu>
Date: Tue, 19 Apr 2011 14:54:49 -0400

Hello All -

 

I am interested in performing MD on some beta- and gamma-peptides (one or
two extra methylene groups in the backbone). I has recently come to my
attention that the amino acids asparagine and glutamine with their amide
groups are good models of beta- and gamma-peptides, respectively, if you
look at the side chain as the backbone.

 

Is there any knowledge out there of what force fields would best handle
beta- and gamma-peptides specifically or would handle asparagine and
glutamine well?

 

Thanks to all,

 

Zachary

 

_____________________
Zachary S. Davis
Graduate Research Assistant, Zwier Group
Purdue University Chemistry
560 Oval Drive, Box 390
West Lafayette, IN 47907
Tel.: (765) 494-7792

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Received on Tue Apr 19 2011 - 12:00:03 PDT
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