Designing bioactive molecules : three dimensional techniques and applications /

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Bibliographic Details
Imprint:	Washington, D.C. : American Chemical Society, c1998.
Description:	xi, 276 p. : ill. (some col.) ; 24 cm.
Language:	English
Subject:	Drugs -- Design -- Data processing. Biomolecules -- Conformation -- Computer simulation. QSAR (Biochemistry) Chemistry, Pharmaceutical. Models, Molecular. Drugs -- Design -- Data processing. QSAR (Biochemistry)
Format:	Print Book
URL for this record:	http://pi.lib.uchicago.edu/1001/cat/bib/3166518

Hidden Bibliographic Details
Other authors / contributors:	Martin, Yvonne Connolly, 1936- Willett, Peter, 1953-
ISBN:	0841234906
Notes:	Includes bibliographical references and index.

Table of Contents:

Contributors
Preface
1. Database Searching: Past, Present, and FutureTechniques
2. Crystallographic Databases and Their Use for Studying Intermolecular Interactions
3. Automated Three-Dimensional Structure Generation
4. The Principles and Practice of Three-Dimensional Database Searching
5. Integration of Molecular Modeling and Database SearchingApplications
6. Pharmocophore Mapping
7. Structure Generation for De Novo Design
8. Docking: Predicting the Structure and Binding Affinity of Ligand-Receptor Complexes
9. Calculation of Three-Dimensional Similarity
10. 3D-QSAR Methods
11. Summary and Future Developments
Index

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