Practical Application of Computer-Aided Drug Design

Charifson

ISBN 10: 0824798856 / ISBN 13: 9780824798857

Editore: CRC Press LLC, 1997

Riguardo questo articolo

Used book that is in excellent condition. May show signs of wear or have minor defects.

Codice articolo 39755782-6

Dati bibliografici

• Titolo: Practical Application of Computer-Aided Drug Design
• Editore: CRC Press LLC
• Data di pubblicazione: 1997
• Lingua: Inglese
• ISBN 10: 0824798856
• ISBN 13: 9780824798857
• Rilegatura: Rilegato
• Condizione: Very Good

Descrizione articolo

Riassunto

This lucid resource documents the most up-to-date advances in computational methods associated with the design of new pharmaceutical agents-covering essential topics including techniques derived from considering the ligand or receptor as starting design points and improvements to underlying molecular mechanics frameworks.

Contenuti

Recent Successes and Continuing Limitations in Computer-Aided Drug Design, Paul S. Charifson and Irwin D. Kuntz
Recent Techniques and Applications in Pharmacophore Mapping, Mark G. Bures
Generation and Use of Three-Dimensional Databases for Drug Discovery, Renèe L. DesJarlais

Three-Dimensional Quantitative Structure-Activity

Relation Analysis, A. J. Hopfinger and John S. Tokarski
Computational Approaches to Chemical Libraries, David C. Spellmeyer, Jeffrey M. Blaney, and Eric Martin
Receptor Preorganization for Activity and Its Role in Identifying Ligand-Binding Sites on Proteins, Brian K. Shoichet
Comparative Protein Modeling, Manuel C. Peitsch
Docking Conformationally Flexible Molecules into Protein Binding Sites, Millard H. Lambert
An Introduction to De Novo Ligand Design, Mark A. Murcko
Recent Advances in the Prediction of Binding Free Energy, Ajay, Mark A. Murcko, and Pieter F. W. Stouten
Long-Range Electrostatic Effects, Ulrich Essmann and Thomas A. Darden
Metals in Molecular Mechanics Force Fields and Simulations, Libero J. Bartolotti and Lee G. Pedersen
New Vistas in Molecular Mechanics, J. Phillip Bowen and Guyan Liang