From chemistry-request $#at#$ ccl.net Sat Jan 24 08:54:12 2004 Received: from guppy.vub.ac.be (www.vub.ac.be [134.184.129.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0ODsBjs024898 for ; Sat, 24 Jan 2004 08:54:11 -0500 Received: from mach.vub.ac.be (mach.vub.ac.be [134.184.129.3]) by guppy.vub.ac.be (8.9.1b+Sun/3.17.1.ap (guppy)) id OAA09921; Sat, 24 Jan 2004 14:55:46 +0100 (MET) for Received: from algcpc10 (algcpc10.vub.ac.be [134.184.24.160]) by mach.vub.ac.be (8.9.3/3.13.5.aejp (mach)) id OAA27074; Sat, 24 Jan 2004 14:55:44 +0100 (MET) for From: "Giju Thomas Kalathingal" To: "H. Georg Schreckenbach" , Subject: RE: summary: "easy" literature on modelling of bio-molecules? Date: Sat, 24 Jan 2004 14:50:52 +0100 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2911.0) Importance: Normal In-Reply-To: <1074880523.4011600b9caf6~at~webware.cc.umanitoba.ca> X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4927.1200 X-Spam-Status: No, hits=1.1 required=7.0 tests=MAILTO_TO_SPAM_ADDR autolearn=no version=2.61 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net I would like to add the volumes of "Encylo. of Computational Chemistry" edited by Schleyer et al. if you might wish a more authentic description. Giju kalathingal Department of General Chemistry (ALGC) Vrije Universiteit Brussel Pleinlaan 2, 1050 Brussels, Belgium. E-mail:Giju.Kalathingal~at~vub.ac.be > -----Original Message----- > From: Computational Chemistry List [mailto:chemistry-request~at~ccl.net]On > Behalf Of H. Georg Schreckenbach > Sent: vrijdag 23 januari 2004 18:55 > To: chemistry~at~ccl.net > Cc: schrecke~at~cc.UManitoba.CA > Subject: CCL:summary: "easy" literature on modelling of bio-molecules? > > > Here is, as promised, my summary. Many thanx to all who replied! > > Best regards, Georg > > > > From: Alan Grossfield > > One good possibility would be "Molecular modellling: principles and > applications", by Andrew Leach. The second edition came out in 2001, > and it covers most areas of molecular modelling, including ab initio > calculations, molecular mechanics, molecular dynamics and monte carlo, a > smattering of advanced techniques, and some informatics type stuff. > > ---- > This book was also recommended by a number of other people. I > don't copy all of > these replies here. GS. > ---- > > From: Kenny Lipkowitz > > A book series I co-edit has a lot of tutorials and reviews on various > aspects of computational chemistry beyond what one might find in > traditional books onmolecular modeling. The series is called Reviews in > Computational Chemistry, published by Wiley and has about 20 volumes now. > > From: Wayne Steinmetz > > I developed a large library in preparation for a course in molecular > modeling. Here are two texts: > a) A. R. Leach, Molecular Modelling, 2nd. ed. ,Prentice-Hall,2001, ISBN > 0-582-38210-6. > This was the text for the course. It provides the best overall > coverage of > the field. > b) T. Schlick, Molecular Modeling and Simulation, Springer, 2000. ISBN > 0-387-95404-X. Schlick takes an unusual multidisciplinary approach and > combines insights from molecular biology, biophysics, and mathematics. > > From: Aldo Jongejan > > Just some books I thought of: > > Allen & Tildesley - Computer Silmulation of Liquids (Fortran code) > Oxford University Press (Clarendon Press) ISBN 0-19-855375-7 > ISBN 0-19-855645-4 (pbk) > > D. Rappaport - The Art of Molecular Dynamics (C code) > > Daan Frenkel & Berend Smit - Understanding Molecular Simulation > ISBN: 0122673514 > > Andrew Leach - Molecular Modelling, Principles and Appications (no > programming, but general introduction to modelling) > > From: "Michael A. Wilson" > > I think what he is trying to do is a monumentally difficult task, if only > becuase there are so many different aspects to consider. One question, of > course, is what does he hope to accomplish? Does he think that no > CS types have > thought about and contributed to the development of existing > modeling codes? Or > that computational chemistry, physics and biology are not > informed by recent > advances in computer science? > > Having said that, I guess some of the standard texts on modeling, > such as "Allen > and Tildesley" or "Hockney and Eastwood" would be a good place to start. > > > -- > Dr. H. Georg Schreckenbach > Department of Chemistry, University of Manitoba > Winnipeg, MB, R3T 2N2, Canada > phone: (+204) 474-6261 > FAX: (+204) 474-7608 > http://home.cc.umanitoba.ca/~schrecke/ > > ------------------------------------------------- > This mail sent through IMP: http://horde.org/imp/ > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your > Subject: line > and send your message to: CHEMISTRY~at~ccl.net > > Send your subscription/unsubscription requests to: > CHEMISTRY-REQUEST~at~ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow~at~nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > >