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 <alan_at_dasher.wustl.edu>
 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 <kenny.lipkowitz_at_ndsu.nodak.edu>
 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 <WES04747_at_pomona.edu>
 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 <jongejan_at_few.vu.nl>
 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" <mwilson_at_mail.arc.nasa.gov>
 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/
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