Subject: summary: "easy" literature on modelling of bio-molecules?

From: "H. Georg Schreckenbach" <schrecke_at_cc.UManitoba.CA>
Date: Fri, 23 Jan 2004 11:55:23 -0600

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/

-------------------------------------------------
This mail sent through IMP: http://horde.org/imp/