From SCHARBRG%SJSUVM1.BITNET@phem3.acs.ohio-state.edu Sat Aug 13 19:32:10 1994 Received: from phem3 for SCHARBRG%SJSUVM1.BITNET@phem3.acs.ohio-state.edu by www.ccl.net (8.6.9/930601.1506) id SAA18177; Sat, 13 Aug 1994 18:48:14 -0400 Received: from SJSUVM1.BITNET (MAILER@SJSUVM1) by phem3.acs.ohio-state.edu (PMDF V4.2-13 #5888) id <01HFVD99CTNK95UA02@phem3.acs.ohio-state.edu>; Sat, 13 Aug 1994 18:53:40 EDT Received: from SJSUVM1 (SCHARBRG) by SJSUVM1.BITNET (Mailer R2.08 PTF008) with BSMTP id 8743; Sat, 13 Aug 94 15:53:09 PDT Date: Sat, 13 Aug 1994 15:49:15 -0700 (PDT) From: Maureen Scharberg@ccl.net Subject: Review articles To: chemistry@ccl.net Message-id: <01HFVD99CTNM95UA02@phem3.acs.ohio-state.edu> Content-transfer-encoding: 7BIT Dear Netters: I am developing a survey course for undergraduates in molecular modeling and computational chemistry. I am searching for some review articles that provide a general description of molecular modeling and energy minimization techniques. Please send any information to my email address below. Thank you in advance for this information. Maureen Scharberg Department of Chemistry San Jose State University scharbrg@sjsuvm1.sjsu.edu From feng@lisboa.ks.uiuc.edu Sat Aug 13 21:33:29 1994 Received: from lisboa.ks.uiuc.edu for feng@lisboa.ks.uiuc.edu by www.ccl.net (8.6.9/930601.1506) id VAA19377; Sat, 13 Aug 1994 21:31:19 -0400 Received: from sofia by lisboa.ks.uiuc.edu (NX5.67d/NX3.0M) id AA00638; Sat, 13 Aug 94 20:37:15 -0500 From: Zhou Feng Message-Id: <9408140137.AA00638@lisboa.ks.uiuc.edu> Received: by sofia.ks.uiuc.edu (NX5.67d/NX3.0X) id AA04923; Sat, 13 Aug 94 20:37:14 -0500 Date: Sat, 13 Aug 94 20:37:14 -0500 Received: by NeXT.Mailer (1.100) Received: by NeXT Mailer (1.100) To: Maureen@lisboa.ks.uiuc.edu, Scharberg@ccl.net Subject: Re: CCL:Review articles Cc: chemistry@ccl.net Reply-To: feng@lisboa.ks.uiuc.edu I would like to recommend you the following books for the biochemistry side: "Proteins: Structures and Molecular Properties" by T. E. Creighton. "Biochemistry" by Lubert Stryer. And I think the following references will be helpful to get started with molecular dynamics simulations: @article{KARP86, author={M. Karplus and J. A. McCammon}, title={The dynamics of proteins}, journal={Scientific American}, year=1986, volume=4, pages=30 } @article{KARP83, author={M. Karplus and J. A. McCammon}, title={Dynamics of Proteins: Elements and Function}, journal={Ann. Rev. Biochem.}, year=1983, volume=53, pages=263 } @article{NADL87, author={Walter Nadler and Klaus Schulten and Axel Br\"unger and Martin Karplus}, title={Molecular and Stochastic Dynamics of Proteins}, journal=PNAS, volume=84, year=1987, pages={7933--7937}, annote={uses stochastic boundary simulation}, tbreference={Pub.\#~82}, tbstatus={pub} } @article{GRUB91, author={Helmut Grubm\"uller and Helmut Heller and Andreas Windemuth and Klaus Schulten}, title={Generalized {V}erlet Algorithm for Efficient Molecular Dynamics Simulations with Long-Range Interactions}, journal=MS, year=1991, volume=6, pages={121--142}, tbreference={Pub.\#~141}, tbstatus={pub} } @article{LEVI83, author={Michael Levitt}, title={Molecular Dynamics of Native Protein}, journal=JMB, pages={595--620}, volume=168, year=1983, keywords={BPTI; H-bonds explicite/implicite; conjugate gradient energy minimization}, } @book{MCCA87, author={J. A. McCammon and S. C. Harvey}, title={Dynamics of proteins and nucleic acids}, publisher={Cambridge University Press}, address={Cambridge}, year=1987 } @book{BROO88, author={Charles L. {Brooks~I{}I{}I} and M. Karplus and B. M. Pettitt}, title={Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics}, publisher={John Wiley \& Sons}, address={New York}, year=1988 } @article{BROO83, author={Bernard R. Brooks and Robert E. Bruccoleri and Barry D. Olafson and David J. States and S. Swaminathan and Martin Karplus}, title={{CHARMM:} A Program for Macromolecular Energy, Minimization, and Dynamics Calculations}, journal={J.\ Comp.\ Chem}, year={1983}, volume={4}, number={2}, pages={187--217} } Have fun!