Practical application of computer-aided drug design /
Practical application of computer-aided drug design /
edited by Paul S. Charifson.
- New York : Marcel Dekker, c1997.
- x, 552 p., [4] p. of plates : ill. (some col.) ; 24 cm.
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.
9780824798857 (hc : acid-free paper) 0824798856 (hc : acidfree paper) $223.68
97020897
Computer-aided design.
Drugs--Design--Data processing
Computer-aided design (CAD)
Pharmaceutical chemistry & technology
Medical laboratory testing & techniques
Drug Design.
Computer-Aided Design.
RS420 / .P73 1997
615.1900285 CHA
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.
9780824798857 (hc : acid-free paper) 0824798856 (hc : acidfree paper) $223.68
97020897
Computer-aided design.
Drugs--Design--Data processing
Computer-aided design (CAD)
Pharmaceutical chemistry & technology
Medical laboratory testing & techniques
Drug Design.
Computer-Aided Design.
RS420 / .P73 1997
615.1900285 CHA