IŽd like to construct some alpha-helix structures by using the Leap
programme and the values written in the protein.cmd file (directory:
$AMBERHOME/dat/leap/cmd/protein.cmd);
As it is not reported in this file, can I have the reference about these
values?
Best regards,
Paola DŽAlessio
From boyd_at_chem.iupui.edu 28 Oct 2000 13:51:27 -0500
Message-id: <n1239381131.6717.macgw.chem.iupui.edu>
Date: 28 Oct 2000 13:51:27 -0500
From: Boyd <boyd_at_chem.iupui.edu>
To: AMBER list <amber.heimdal.compchem.ucsf.edu>
Subject: book on molecular design
In-Reply-to: <200010262129.OAA245230.renoir.scripps.edu>
Hello,
Volume 16 of REVIEWS IN COMPUTATIONAL CHEMISTRY has been published.
Four chapters present tutorials and reviews on:
o Diversity analysis and combinatorial library design
o Artificial neural networks and their use in chemistry
o Force fields for materials modeling
o Free energy calculations for predicting ligand binding affinities
The authors are: Atul Agarwal, David E. Clark, Mark D. Erion, Clive
M. Freeman, Jrg-Rdiger Hill, Richard A. Lewis, Keith L. Peterson,
Stephen D. Pickett, M. Rami Reddy, and Lalitha Subramanian.
The ISBN of Vol. 16, which is published by Wiley-VCH, is 0-471-38667-7.
More information about the books can be found at
http://chem.iupui.edu/rcc/rcc.html
Thanks, Don
Donald B. Boyd, Ph.D.
Editor, Reviews in Computational Chemistry
Editor, Journal of Molecular Graphics and Modelling (published
in affiliation with the ACS Computers in Chemistry Division)
Department of Chemistry
Indiana University-Purdue University at Indianapolis
402 North Blackford Street
Indianapolis, Indiana 46202-3274, U.S.A.
Telephone 317-274-6891, FAX 317-274-4701
E-mail boyd_at_chem.iupui.edu
Received on Fri Oct 27 2000 - 08:42:36 PDT
