From vuckovic@hyper.com Mon Feb 12 10:27:42 1996 Received: from www.hyper.com for vuckovic@hyper.com by www.ccl.net (8.6.10/950822.1) id KAA14997; Mon, 12 Feb 1996 10:15:23 -0500 Received: (from vuckovic@localhost) by www.hyper.com (8.6.12/8.6.12) id KAA20698 for chemistry@www.ccl.net; Mon, 12 Feb 1996 10:25:21 -0500 From: Dragan Vuckovic Message-Id: <199602121525.KAA20698@www.hyper.com> Subject: HyperChem Workshop-Germany To: chemistry@www.ccl.net Date: Mon, 12 Feb 1996 10:25:20 -0500 (EST) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 1053 Hypercube, Inc. in association with Science direct presents an Introductory HyperChem Workshop on Computational Chemistry April 24 -26, 1996 , University of Paderborn Paderborn, Germany For more information contact me at vuckovic@hyper.com, or Dr. Heinz Hofmann ,Science direct Sandrangen 3, D-91257 Pegnitz-Buchau, Germany e-mail: 100411.2306@compuserve.com Tel. +49-(0)9241- 91216 Fax: +49-(0)9241 - 91217 For a complete description of the workshop and the registration form, check Hypercube's home page at http://www/hyper.com or check conference listings: gopher://www.ccl.net:73/1m/info/conferences ftp://www.ccl.net/pub/chemistry/info/conferences ___________________________________________________________________ Dr. Dragan Lj. Vuckovic phone: (519) 725-4040 International Marketing Manager fax: (519) 725-5193 Hypercube, Inc. e-mail: vuckovic@hyper.com 419 Phillip Street URL: http://www.hyper.com Waterloo, Ontario Canada, N2L 3X2 From orgdept!orgdept.mhti.msk.su!root@info.muctr.edu.ru Mon Feb 12 14:27:45 1996 Received: from info.muctr.edu.ru for orgdept!orgdept.mhti.msk.su!root@info.muctr.edu.ru by www.ccl.net (8.6.10/950822.1) id OAA17800; Mon, 12 Feb 1996 14:22:26 -0500 Received: from orgdept.UUCP (uucp@localhost) by info.muctr.edu.ru (8.6.9/8.6.12) with UUCP id WAA22721 for chemistry@www.ccl.net; Mon, 12 Feb 1996 22:14:15 +0300 Received: by orgdept.mhti.msk.su (UUPC/@ v6.14f, 10May95); id AA22717 Thu, 21 Dec 1995 21:19:25 +0300 To: chemistry@www.ccl.net Message-Id: Organization: MUCTR/Department of Organic Chemistry From: "Boris B.Semenov" Date: Thu, 21 Dec 95 21:19:24 +0300 X-Mailer: BML [MS/DOS Beauty Mail v1.36h] Subject: HELP! Texts of publucations needed. Lines: 36 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Content-Length: 1667 Dear friends, Would You kindly excuse me being bothering all of You, but I do need help of those of You who can help with the info on the following: I'm looking for a number of pubblications I can't get in our library. Here is the list: 1.the AMBER force field/ S.W.Homans,Biochemistry 29,9110/1990 2.Kolossvary and Guida method/ J.Comput.Chem.,14,691/1993 3.Conformers' sequences generation approaches/ G.Chang, W.C.Guida and W.C.Still,J. Am.Chem.Soc.,111,4379/1989 4.Nuclear charges calculation method of Gasteiger-Marsili Tetrahedron,36,3219,/1980 5.Van der Waals and solvent-accessible surface areas/ W.Hasel, T.F.Hendrickson, W.C.Still,Tet.Comput.Meth.,1,103/1988 6.The approximate surface area calculation method of Scheraga et al./ T.Ooi,M.Oobatake,G.Nemethy and H.Scheraga,Proc.Natl.Acad.Sci.USA 84, 3086/1987 7."Log P" calculation "atom fragment" method/ Ghose,Pritchett and Crippen,J.Comput.Chem.,9,80/1988 8.Refractivity calculation "atom fragment" method/ Ghose and Crippen,J.Chem.Inf.Comput.Sci.,27,21/1987 9.Polarisability calculation "atomic method" of Miller/ K.J.Miller,J.Am.Chem.Soc.,112,8533/1990 My problem is that we haven't the texts. An on-line access facility neither. So I'm asking either for an e-mail sending of any texts from hereabove, or for a gentle advise Where can I load them from via net? Perhaps, Are there any sites within Web,where these texts are available? Any useful suggestions are at most wellcome. I thank You in advance Oleg A.Malov E-mail:root@orgdept.mhti.msk.su P.S. I think I'm not alone facing such a problem, so I'd better put a summary of eventual helpful replies back in the List when ready. From chemistry-request@www.ccl.net Mon Feb 12 16:42:47 1996 Received: from jjnet.jnj.com for chemistry-request@www.ccl.net by www.ccl.net (8.6.10/950822.1) id QAA19889; Mon, 12 Feb 1996 16:41:21 -0500 Received: by jjnet.jnj.com id AA28900 (InterLock SMTP Gateway 3.0 for chemistry@www.ccl.net); Mon, 12 Feb 1996 16:38:41 -0500 Received: by jjnet.jnj.com (Internal Mail Agent-3); Mon, 12 Feb 1996 16:38:41 -0500 Received: by jjnet.jnj.com (Internal Mail Agent-2); Mon, 12 Feb 1996 16:38:41 -0500 Received: by jjnet.jnj.com (Internal Mail Agent-1); Mon, 12 Feb 1996 16:38:41 -0500 From: haney@netcom.com (Dr. David N. Haney) Message-Id: <199602122008.MAA18053@netcom14.netcom.com> Subject: CCL:logP To: jaouad@goliat.ugr.es (Jauoad El Bahraoui) Date: Mon, 12 Feb 1996 12:08:09 -0800 (PST) Cc: chemistry@www.ccl.net In-Reply-To: from "Jauoad El Bahraoui" at Feb 12, 96 02:55:44 pm X-Mailer: ELM [version 2.4 PL23] Sender: Computational Chemistry List Errors-To: ccl@www.ccl.net Precedence: bulk jaouad@goliat.ugr.es writes: > Please tell me about programs does permit the calculation of the > partition coefficients octanol-water (logP) ? > regards. HINT is a third-party program that works in the molecular modeling environment of Biosym's InsightII, Tripos's Sybyl or Chemical Design's Chem-X. HINT calculates logP using a library for proteins, nucleic acids and certain other materials. HINT can calculate logP of any molcule in its "calculate mode" using rules based on the chemical fragment types, and a translation of the fragment method of Leo and Abraham. In addition to calculating logP, HINT calculates (1) 3-D visual maps that aid in the 3-D understanding of hydrophobicity for small and large molecules, and (2) molecular interaction constants (including hydrophobic, electrostatic and VDW) useful for studying binding of drugs to proteins or proteins to proteins. Information about HINT, publications and seminars can be found on the web at: http://www.i2020.net/edusoft/hint/hint.html -- ************** David N. Haney, Ph.D. **************** * Haney Associates Phone - 619-566-1127 * * 12010 Medoc Ln. * * San Diego, CA 92131 Fax - 619-586-1481 * * http://www.i2020.net/edusoft/haney/haney.html * ************** Email - haney@netcom.com *************** -------This is added Automatically by the Software-------- -- Original Sender Envelope Address: haney@netcom.com -- Original Sender From: Address: haney@netcom.com CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search Web: http://www.ccl.net/chemistry.html From chp004@bangor.ac.uk Mon Feb 12 17:57:48 1996 Received: from pragmatix.bangor.ac.uk for chp004@bangor.ac.uk by www.ccl.net (8.6.10/950822.1) id RAA20877; Mon, 12 Feb 1996 17:55:42 -0500 Received: from thunder by pragmatix.bangor.ac.uk (SMI-8.6/SMI-SVR4) id WAA14678; Mon, 12 Feb 1996 22:55:16 GMT Received: by thunder; (5.65/1.1.8.2/17Oct94-1141AM) id AA25928; Mon, 12 Feb 1996 22:55:16 GMT Date: Mon, 12 Feb 1996 22:55:15 +0000 (GMT) From: "A.P.Yang" X-Sender: chp004@thunder To: CHEMISTRY@www.ccl.net Subject: SignOff please Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII signoff chp004@bangor.ac.uk unsubscribe chp004@bangor.ac.uk