Rational Drug Design (Record no. 294777)

MARC details
000 -LEADER
fixed length control field 01770nam a2200157Ia 4500
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 0387987533
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 615.19 RAT
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Donald G Truhlar [ editor ]
245 ## - TITLE STATEMENT
Title Rational Drug Design
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Place of publication, distribution, etc. New York
Name of publisher, distributor, etc. Springer
Date of publication, distribution, etc. 1999
300 ## - PHYSICAL DESCRIPTION
Extent xii,206p.
520 ## - SUMMARY, ETC.
Summary, etc. Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research programs. These methods have grown in their effectiveness not only because of improvedunderstanding of the basic science - the biological events and molecular interactions that define a target for therapeutic intervention - but also because of advances in algorithms, representations, and mathematical procedures for studying such processes. This volume surveys some of those advances. A broad landscape of high-profile topics in computer-assisted molecular design (CAMD) directed to drug design are included. Subject areas represented in the volume include receptor-based applications such as binding energy approximations, molecular docking, and de novo design; non-receptor-based applications such as molecular similarity; molecular dynamics simulations; solvation and partitioning of a solute between aqueous and nonpolar media; graph theory; non-linear multidimensional optimization, processing of information obtained from simulation studies, global optimization and search strategies, and performance enhancement through parallel computing
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Drugs -Design -Computer simulation -Congresses. Drugs -Design -Mathematical models -Congresses. Computer-aided design -Congresses.
700 ## - ADDED ENTRY--PERSONAL NAME
Personal name W Jeffrey Howe; Anthony J Hopfinger; Jeff Blaney; Richard A Dammkoehler
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type Book
Holdings
Withdrawn status Lost status Damaged status Not for loan Home library Current library Shelving location Date acquired Total Checkouts Full call number Barcode Date last seen Price effective from Koha item type
        Dept. of Computational Biology and Bioinformatics Dept. of Computational Biology and Bioinformatics Processing Center 01/09/2015   615.19 RAT DCB1416 01/09/2015 19/07/2019 Book