Document 0562 DOCN M9550562 TI Use of molecular dynamics and free energy perturbation calculations in anti-human immunodeficiency virus drug design. DT 9505 AU McCarrick MA; Kollman P; Department of Pharmaceutical Chemistry, School of Pharmacy,; University of California, San Francisco 94143. SO Methods Enzymol. 1994;241:370-84. Unique Identifier : AIDSLINE MED/95157321 DE Amino Acid Sequence Antiviral Agents/*CHEMISTRY/PHARMACOLOGY *Computer Simulation Crystallography, X-Ray Drug Design Forecasting HIV/*DRUG EFFECTS/METABOLISM HIV Protease/CHEMISTRY/METABOLISM HIV Protease Inhibitors/CHEMISTRY/PHARMACOLOGY Kinetics Macromolecular Systems *Models, Molecular Molecular Sequence Data Protein Conformation Substrate Specificity Support, U.S. Gov't, P.H.S. Thermodynamics JOURNAL ARTICLE REVIEW REVIEW, TUTORIAL SOURCE: National Library of Medicine. NOTICE: This material may be protected by Copyright Law (Title 17, U.S.Code).