Structure-based drug design: computational advances.


Structure-based computational methods continue to enhance progress in the discovery and refinement of therapeutic agents. Several such methods and their applications are described. These include molecular visualization and molecular modeling, docking, fragment methods, 3-D database techniques, and free-energy perturbation. Related issues that are discussed… (More)


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@article{Marrone1997StructurebasedDD, title={Structure-based drug design: computational advances.}, author={Tami Marrone and James M. Briggs and James Andrew McCammon}, journal={Annual review of pharmacology and toxicology}, year={1997}, volume={37}, pages={71-90} }