Re: heterochirical peptides ?

From: David Case <>
Date: Tue 30 Apr 2002 11:21:38 -0700

On Tue, Apr 30, 2002, Yuguang Mu wrote:

> Will I have problems when use standard AMBER force fields to
> simulate heterochirical peptide, such as ALA- (D)ALA -PHE -???

No...both D and L forms are local minima in the potentials, with fairly
large barriers to inversion. So if you start with a D amino acid, you
should stay there.

It is possible to see chirality inversions at high temperatures, so you
should be on the lookout for that, however.

...good luck...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Tue Apr 30 2002 - 11:21:38 PDT
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