Designing bioactive molecules : three-dimensional techniques and applications / Yvonne C. Martin, editor, Peter Willett, editor ; Stephen R. Heller, consulting editor.

Contributor(s):

Publication details: Washington, DC : American Chemical Society, c1998.Description: xi, 276 p. : ill. ; 24 cmISBN:

0841234906 (acidfree paper)

Subject(s):

DDC classification:

QV44 D457 1998 D457 1998

Online resources:

Contents:

Contents 1. Database Searching: Past, Present, and Future, Cynthia Corwin and Irwin D. Kuntz Techniques 2. Crystallographic Databases and Their Use for Studying Intermolecular Interactions, Nigel A. Pitchford and Robin Taylor 3. Automated Three-Dimensional Structure Generation, Darren V.S. Green 4. The Principles and Practice of Three-Dimensional Database Searching, Wendy A. Warr and Peter Willett 5. Integration of Molecular Modeling and Database Searching, Mark G. Bures Applications 6. Pharmocophore Mapping, Yvonne Connolly Martin 7. Structure Generation for De Novo Design, Valerie J. Gillet and A. Peter Johnson 8. Docking: Predicting the Structure and Binding Affinity of Ligand-Receptor Complexes, J. Scott Dixon and Jeffrey M. Blaney 9. Calculation of Three-Dimensional Similarity, Philip M. Dean and Tim D.J. Perkins 10. 3D-QSAR Methods, Giovanni Greco, Ettore Novellino, and Yvonne Connolly Martin 11. Summary and Future Developments, Yvonne Connolly Martin and Peter Willett

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Holdings
Item type	Current library	Call number	Copy number	Status	Date due	Barcode
Book Open Access	Health Sciences Library	QV44 D457 1998 (Browse shelf(Opens below))	1	Available		MBAL22010891

Includes bibliographical references and index.

Contents

1. Database Searching: Past, Present, and Future, Cynthia Corwin and Irwin D. Kuntz

Techniques
2. Crystallographic Databases and Their Use for Studying Intermolecular Interactions, Nigel A. Pitchford and Robin Taylor
3. Automated Three-Dimensional Structure Generation, Darren V.S. Green
4. The Principles and Practice of Three-Dimensional Database Searching, Wendy A. Warr and Peter Willett
5. Integration of Molecular Modeling and Database Searching, Mark G. Bures

Applications
6. Pharmocophore Mapping, Yvonne Connolly Martin
7. Structure Generation for De Novo Design, Valerie J. Gillet and A. Peter Johnson
8. Docking: Predicting the Structure and Binding Affinity of Ligand-Receptor Complexes, J. Scott Dixon and Jeffrey M. Blaney
9. Calculation of Three-Dimensional Similarity, Philip M. Dean and Tim D.J. Perkins
10. 3D-QSAR Methods, Giovanni Greco, Ettore Novellino, and Yvonne Connolly Martin
11. Summary and Future Developments, Yvonne Connolly Martin and Peter Willett

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Designing bioactive molecules : three-dimensional techniques and applications / Yvonne C. Martin, editor, Peter Willett, editor ; Stephen R. Heller, consulting editor.