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Results: 1-7 |
Results: 7
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
Authors: Kaminski, GA Friesner, RA Tirado-Rives, J Jorgensen, WL
Citation: Ga. Kaminski et al., Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides, J PHYS CH B, 105(28), 2001, pp. 6474-6487
Antiviral drug design: Computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs
Authors: Wang, DP Rizzo, RC Tirado-Rives, J Jorgensen, WL
Citation: Dp. Wang et al., Antiviral drug design: Computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs, BIOORG MED, 11(21), 2001, pp. 2799-2802
Estimation of binding affinities for HEPT and nevirapine analogues with HTV-1 reverse transcriptase via Monte Carlo simulations
Authors: Rizzo, RC Tirado-Rives, J Jorgensen, WL
Citation: Rc. Rizzo et al., Estimation of binding affinities for HEPT and nevirapine analogues with HTV-1 reverse transcriptase via Monte Carlo simulations, J MED CHEM, 44(2), 2001, pp. 145-154
Monte Carlo calculations on HIV-1 reverse transcriptase complexed with thenon-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity
Authors: Smith, MBK Lamb, ML Tirado-Rives, J Jorgensen, WL Michejda, CJ Ruby, SK Smith, RH
Citation: Mbk. Smith et al., Monte Carlo calculations on HIV-1 reverse transcriptase complexed with thenon-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity, PROTEIN ENG, 13(6), 2000, pp. 413-421
Validation of a model for the complex of HIV-1 reverse transcriptase with sustiva through computation of resistance profiles
Authors: Rizzo, RC Wang, DP Tirado-Rives, J Jorgensen, WL
Citation: Rc. Rizzo et al., Validation of a model for the complex of HIV-1 reverse transcriptase with sustiva through computation of resistance profiles, J AM CHEM S, 122(51), 2000, pp. 12898-12900
Estimation of the binding affinities of FKBP12 inhibitors using a linear response method
Authors: Lamb, ML Tirado-Rives, J Jorgensen, WL
Citation: Ml. Lamb et al., Estimation of the binding affinities of FKBP12 inhibitors using a linear response method, BIO MED CH, 7(5), 1999, pp. 851-860
Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method
Authors: Smith, RH Jorgensen, WL Tirado-Rives, J Lamb, ML Janssen, PAJ Michejda, CJ Smith, MBK
Citation: Rh. Smith et al., Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method, J MED CHEM, 41(26), 1998, pp. 5272-5286
Risultati: 1-7 |