Marilyn B. Kroeger Smith

Crystal Structures of 8-Cl and 9-Cl TIBO Complexed with Wild-type HIV-1 RT and 8-Cl TIBO Complexed with the Tyr181Cys HIV-1 RT Drug-resistant Mutant

Kalyan Das, Jianping Ding, Y. Hsiou et al. · Journal of Molecular Biology · 1996 · 187 citations

Wild-type Hiv-1 Rt, Biochemistry, 9-Cl Tibo Complexed +12

Prediction of Activity for Nonnucleoside Inhibitors with HIV-1 Reverse Transcriptase Based on Monte Carlo Simulations

Robert C. Rizzo, Marina Udier–Blagović, Deping Wang et al. · Journal of Medicinal Chemistry · 2002 · 88 citations

Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method

Richard H. Smith, William L. Jorgensen, Julian Tirado‐Rives et al. · Journal of Medicinal Chemistry · 1998 · 80 citations · Full text

Molecular modeling studies of HIV‐1 reverse transcriptase nonnucleoside inhibitors: Total energy of complexation as a predictor of drug placement and activity

Marilyn B. Kroeger Smith, Stephen H. Hughes, Paul L. Boyer et al. · Protein Science · 1995 · 60 citations

Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside Inhibitors:  Correlation of Binding Energy with Biological Activity for Novel 2-Aryl-Substituted Benzimidazole Analogues

Marilyn B. Kroeger Smith, Brian M. Hose, Arie Hawkins et al. · Journal of Medicinal Chemistry · 2003 · 37 citations · Full text

Engineering, Computational Chemistry, Physical Descriptors +20