LIGAND PROTEIN DOCKING AND RATIONAL DRUG DESIGN

Over the past year there have been some interesting and significant ad vances in computer-based ligand-protein docking techniques and related rational drug-design tools, including flexible ligand docking and bet ter estimation of binding free energies and solvation energies. As a r esult, the successful use of computational tools to help generate inte resting new guide (lead) compounds for targeted receptors is becoming more commonplace.