Rational Drug Design (Record no. 294777)
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000 -LEADER | |
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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 |
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 |
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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 |