## Abstract Binding free energies were calculated for the inhibitors lopinavir, ritonavir, saquinavir, indinavir, amprenavir, and nelfinavir bound to HIVβ1 protease. An MMPB/SAβtype analysis was applied to conformational samples from 3 ns explicit solvent molecular dynamics simulations of the enzym
β¦ LIBER β¦
Rapid and Accurate Binding Free Energy Prediction for Inhibitor-Bound HIV-1 Enzymes
β Scribed by Coveney, Peter V.; Wright, David W.; Sadiq, S. Kashif
- Book ID
- 122147909
- Publisher
- Biophysical Society
- Year
- 2010
- Tongue
- English
- Weight
- 35 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0006-3495
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