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STRUCTURE-BASED DRUG DESIGN:Computational Advances (1997)

Marrone, Tami J. ; Briggs, and, James M. ; McCammon, J. Andrew

Palo Alto, Calif. : Annual Reviews

Annual Review of Pharmacology 37 (1997), S. 71-90

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ISSN: 0362-1642

Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff

Topics: Medicine , Chemistry and Pharmacology

Notes: Abstract 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 include the use of simplified potential energy functions and the determination of the positions of tightly bound waters. Strengths and weaknesses of the various methods are described.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1146/annurev.pharmtox.37.1.71

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