Crystallographic and Modeling Methods in Molecular Design

Inhibitor Binding to Thymidylate Synthase Is Mediated by Different Structural Determinants than Those That Promote Tight Binding to Dihydrofolate Reductase.- Crystallographic and Pharmacological Studies of Antiviral Agents Against Human Rhinovirus.- Structural Studies of Elastase-Inhibitor Complexes with ?-Lactams.- Design of Purine Nucleoside Phosphorylase Inhibitors Using X-Ray Crystallography.- The Potential Role of Solvation in the Dihydrofolate Reductase Species Selectivity of Trimethoprim.- Crystallographic and Genetic Approaches Toward the Design of Proteins of Enhanced Thermostability.- Stability of Folded Conformations by Computer Simulation: Methods and Some Applications.- The Use of Molecular Dynamics and Free Energy Perturbation Approaches in Simulating the Properties of Macromolecules and Their Binding to Ligands.- Molecular Recognition of DNA Minor Groove Binding Drugs.- Structural and Computational Studies of Anticonvulsants: A Search for Correlation Between Molecular Systematics and Activity.- Crystallography and Molecular Mechanics in Designing Drugs with Unknown Receptor Structure.- Molecular Modeling with Substructure Libraries Derived from Known Protein Structures.- O: A Macromolecule Modeling Environment.- Inhibitor Design from Known Structures.- The Cambridge Structural Database in Molecular Modeling: Systematic Conformational Analysis from Crystallographic Data.- Preferred Interaction Patterns from Crystallographic Databases.- Aladdin: A Real Tool for Structure-Based Drug Design.