Subject: Finding conformations analytically

From: "Igor Baskin" <[email-masked]>
Date: Fri, 1 Sep 1995 11:57:20 +0400 (MSD)

Dear CCL'ers,

Although some sort of systematic or random search for a complete
set of all conformations corresponding to local minima is usually
applied, an analytical solution (i.e., by algebraic means, without
numerical optimization) of this problem (at least for some general-
purpose force fields) seems to exist [see, for example,
A.D. Kuntsevich, P.E. Kuznetsov, Iu.N. Liulin, A.A. Scherbakov,
"Analytical solution for the problem of stable conformations",
Dokl. Akad. Nauk. SSSR, 1990, v.309, N 5, pp. 1131-1136 (in Russian)].

Has anybody used analytical methods for exhaustively searching
conformational space in practice? Are there other theoretical works
in this direction?

Thanks,
Igor Baskin

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Igor I. Baskin, Ph.D.            | Tel:    7-095-939-3557
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