Structure-based drug design : experimental and computational approaches

1998 
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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