Discovery of Novel Inhibitors of HIV-1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles

Discovery ofStaphylococcus aureusSortase A Inhibitors Using Virtual Screening and the Relaxed Complex Scheme

(2013) Albert H. Chan et al.   Chemical Biology & Drug Design

HIV-1 Reverse Transcription

(2013) W.-S. Hu et al.   Cold Spring Harbor Perspectives in Medicine

Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase

(2012) Anil R. Ekkati et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

HIV-1 and HIV-2 Reverse Transcriptases: Different Mechanisms of Resistance to Nucleoside Reverse Transcriptase Inhibitors

(2012) P. L. Boyer et al.   JOURNAL OF VIROLOGY

Non-Bisphosphonate Inhibitors of Isoprenoid Biosynthesis Identified via Computer-Aided Drug Design

(2011) Jacob D. Durrant et al.   Chemical Biology & Drug Design

Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents

(2011) Mariela Bollini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors

(2011) Jérémie Boyer et al.   JOURNAL OF MEDICINAL CHEMISTRY

HIV-1 NNRTIs: structural diversity, pharmacophore similarity, and impliations for drug design

(2011) Peng Zhan et al.   MEDICINAL RESEARCH REVIEWS

HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase

(2011) David C. Goldstone et al.   NATURE

Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures

(2009) Sara E. Nichols et al.   Journal of Chemical Information and Modeling

Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics Simulations

(2009) Anthony Ivetac et al.   JOURNAL OF MOLECULAR BIOLOGY

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

(2008) Rommie E. Amaro et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structural Basis for the Improved Drug Resistance Profile of New Generation Benzophenone Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors†

(2008) Jingshan Ren et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase

(2008) Lily S. Cheng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei

(2008) R. E. Amaro et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA