6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

Natural Sciences, Chemistry, Physics +17

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +16

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 6K citations

Life Sciences, Biochemistry, Bioinformatics +14

Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572)

S. Hare, Steven J. Smith, Mathieu Métifiot et al. · Molecular Pharmacology · 2011 · 258 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacotherapy +17

Inhibition of HIV-1 Ribonuclease H by a Novel Diketo Acid, 4-[5-(Benzoylamino)thien-2-yl]-2,4-dioxobutanoic Acid

Cathryn A. Shaw-Reid, Vandna Munshi, Pia Graham et al. · Journal of Biological Chemistry · 2003 · 155 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +12