peptide stricture modelling soft?

jose jose at biochemistry.cwru.edu
Thu May 3 03:47:04 EST 2001


Emir Khatipov wrote:

> I am looking for software (web or independent, PC preferable) that would
> take one- or three-letter aminoacid sequence of a peptide as an input,
> calculate most stable conformations of aminoacids, and draw spatial models
> of peptides. Could anybody recommend something?

i have used Hyperchem (on the PC) to do this. its a relatively
inexpensive way to do this. as is Spartan (www.wavefun.com), again for
the desktop (PC, Mac) and workstation. this is for smaller peptides.

for larger proteins, i have invested a considerable amount of time,
money and effort working with high performance clusters and software
(like MD code) to find such geometries. AFAICT no one has this down
well, yet, but many people are trying. 

jose nazario				jose at cwru.edu





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