CCL: Any open-source molecular descriptor software for short peptides?
- From: "tomoko niwa" <tomokoniwa a
gamma.ocn.ne.jp>
- Subject: CCL: Any open-source molecular descriptor software for
short peptides?
- Date: Mon, 12 Sep 2005 23:48:26 +0900
Sent to CCL by: "tomoko niwa" [tomokoniwa a gamma.ocn.ne.jp]
If you are interest in structure-activity relationships of bioactive
peptides, the following article would be helpful.
Fauchere, J. L.; Charton, M.; Kier, L. B.; Verloop, A.; Pliska, V. Amino
Acid Side Chain Parameters for Correlation Studies in Biology and
Pharmacology. Int. J. Pept. Protein Res. 1988, 32, 269-278.
Application of these descriptors to structure-activity relationship
studies, and definition of hydrophobic descriptors of amino acids are
described in
Sotomatsu-Niwa, T.; Ogino, A. Evaluation of the Hydrophobic Parameters
of the Amino Acid Side Chains of Peptides and their Application in QSAR
and Conformational Studies. THEOCHEM 1997, 392, 43-54.
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
Tomoko Niwa, Ph.D.
Discovery Research Lab. Nippon Shinyaku Co., Ltd.
14, Nishinosho-Monguchi-cho, Kisshoin,
Minami-ku Kyoto, 601-8550 Japan
tel +81-75-321-9010, fax +81-75-321-9038
t.niwa a po.nippon-shinyaku.co.jp
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
On Tue, 2005-09-06 at 15:45 -0400, CCL wrote:
> Sent to CCL by: "Lei Huang" [hxbus]*<yahoo.com>
> Dear CCLers:
>
> Could anyone recommend a nice open-source molecular descriptor
calculation software for short peptides with 8-15 amino acid long? I
tried to search the archives but only got the internal error message.
Thanks.
>
> Lei Huang
> University of Illinois at Chicago (M/C563)
> Chicago, IL 60612
> Email: hxbus at yahoo.com