TY  - BOOK
AU  - Charifson,Paul S.
TI  - Practical application of computer-aided drug design
SN  - 9780824798857 (hc : acid-free paper)
AV  - RS420 .P73 1997
U1  - 615.1900285  CHA 
PY  - 1997///
CY  - New York
PB  - Marcel Dekker
KW  - Computer-aided design
KW  - Drugs
KW  - Design
KW  - Data processing
KW  - Computer-aided design (CAD)
KW  - thema
KW  - Pharmaceutical chemistry & technology
KW  - Medical laboratory testing & techniques
KW  - Drug Design
KW  - Computer-Aided Design
N1  - Includes bibliographical references and index; 1.Recent successes and continuing limitations in computer-aided drug design. Paul S. Charifson and Irwin D. Kuntz -- 2.Recent techniques and applicaitons in pharmacophore mapping. Mark G. Bures - 3.Generation and use of three-dimensional databases for drug discover. Reneþe L. DesJarlais -- 4.Three-dimensional quantitative structure - activity relationship analysis, A. J. Hopfinger and John S. Tokarski -- 5.Computational approaches to chemical libraries. David C. Spellmeyer, Jeffrey M. Blaney, and Eric Martin -- 6.Receptor preorganization for activity and its role in identifying ligand-binding sites on proteins. Brian K. Shoichet -- 7.Comparative protein modeling. Manuel C. Peitsch -- 8.Docking conformationally flexible molecules into protein binding sites. Millard H. Lambert -- 9.An introduction to De Novo Ligand design. Mark A. Murcko -- 10.Recent advances in the prediction of binding free energy. Jay, Mark A. Murcko, and Pieter F. W. Stouten -- 11. Long-range electrostatic effects. Ulrich Essmann and Thomas A. Darden -- 12.Metals in molecular mechanics force fields and simulations. Libero J. Bartolotti and Lee G. Pedersen -- 13.New vistas in molecular mechanics. J. Phillip Bowen and Guyan Liang
UR  - http://www.loc.gov/catdir/enhancements/fy0647/97020897-d.html
ER  -