From qsar!qsar.chem.msu.su!baskin \\at// gamma.srcc.msu.su Fri Sep 1 04:42:00 1995 Received: from gw.srcc.msu.su for qsar!qsar.chem.msu.su!baskin $#at#$ gamma.srcc.msu.su by www.ccl.net (8.6.10/950822.1) id EAA22877; Fri, 1 Sep 1995 04:33:14 -0400 Received: from srcc.UUCP (uusrcc.,at,.localhost) by gw.srcc.msu.su (8.6.12/8.6.12) with UUCP id MAA29733 for CHEMISTRY.,at,.www.ccl.net; Fri, 1 Sep 1995 12:33:05 +0400 Received: by gamma.srcc.msu.su; Fri, 1 Sep 1995 12:32:59 +0400 Received: by qsar.chem.msu.su (dMail for DOS v1.23, 15Jun94); Fri, 1 Sep 1995 11:57:20 +0400 To: CHEMISTRY ^at^ www.ccl.net Message-Id: Organization: Lab. of Org.Synth., MSU Date: Fri, 1 Sep 1995 11:57:20 +0400 (MSD) From: "Igor Baskin" X-Mailer: dMail [Demos Mail for DOS v1.23] Subject: Finding conformations analytically Lines: 25 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 -- ------------------------------------------------------------------ Igor I. Baskin, Ph.D. | Tel: 7-095-939-3557 Department of Chemistry | 7-095-451-6997 (home) Moscow State University | Fax: 7-095-939-0290 Moscow 119899, Russia | E-mail: baskin {*at*} qsar.chem.msu.su