Structure-based drug design : experimental and computational approaches
著者
書誌事項
Structure-based drug design : experimental and computational approaches
（NATO ASI series, Series E . Applied sciences ; no. 352）
Kluwer Academic, c1998
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注記
"Published in cooperation with NATO Scientific Affairs Division."
"Proceedings of the NATO Advanced Study Institute on Experimental and Computational Approaches to Structure-Based Drug Design, Erice, Sicily, Italy, May 9-19, 1996"--T.p. verso
Includes bibliographical references and index
内容説明・目次
内容説明
Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.
目次
- Preface. Steroid Hormone Structure, Receptor Binding and Activity: Empirical Drug Design
- W.L. Duax, J.F. Griffin. The Cambridge Structural Database System: Conformational Analysis from Crystallographic Data
- F.H. Allen, N.A. Pitchford. SAR, Scope and Limitations of Molecular Design Approaches
- G. Folkers. Computational Strategies for Modeling Receptor Flexibility in Studies of Receptor-Ligand Interactions
- R.C. Wade, S. Ludemann. Application of Machine Learning in Drug Design
- R.D. King. 3D Molecular Similarity Methods: In Search of a Pharmacophore
- D.C. Rohrer. Collagenase and Family: Targets for Drug Design
- N. Borkakoti, et al. Drugs Targeting Influenza Virus Neuraminidase
- P.M. Colman. From Cyclohexane to FK506 - Conformational Analysis by Molecular Dynamics
- F.S. Jorgensen, et al. The Use of Uncoded alpha-Amino Acid Residues in Drug Design
- E. Benedetti, et al. Use of the Cambridge Structural Database to Study Non-Covalent Interactions: Towards a Knowledge Base of Intermolecular Interactions
- J.C. Cole, et al. Immunoconjugates as Anti-Cancer Agents
- R. Pauptit, et al. Database Searching Using Protein Crystal Structures and Molecular Docking Procedures
- T.F. Hendrickson, L. Schaffer. Recent Developments in Applying Machine Learning to Drug Design
- R.D. King, et al. Structure-Based Design of Novel Heparin-Like Anticoagulants
- P.D.J. Grootenhuis, C.A.A. van Boeckel. Structure, Mechanism of Action and Inhibition of Dehydrogenase Enzymes
- W.L. Duax, et al. In Search of Hypoglycaemic Agents for the Treatment of Non-Insulin Dependent Diabetes Mellitus
- K.A. Watson. 3D Molecular Similarity Methods: Application to Modelling HIV-1 Reverse Transcriptase Inhibitor Binding
- D.C. Rohrer, J. Mestres. Computational Approaches to Modeling ReceptorFlexibility Upon Ligand Binding: Application to Interfacially Activated Enzymes
- R.C. Wade, et al. Exploring Drug Design Methods with Thymidylate Synthase
- R.M. Stroud. Computational Tools for Structure-Based Drug Design
- B.J. Burke, et al. Antibody-Antigen Interactions. Lessons in Molecular Design
- P.M. Colman. Antibacterial Design Based on the Structures of Gyrase-Inhibitor Complexes
- R. Pauptit, et al. Integrated Homology Modelling and X-Ray Study of Herpes Simplex Virus I Thymidine Kinase
- G. Folkers. Index.
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