Design of potential reverse transcriptase inhibitor containing Isatin nucleus using molecular modeling studies

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

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

Pharmacy, Pharmacokinetics, Pharmacology +16

Isolation of a T-Lymphotropic Retrovirus from a Patient at Risk for Acquired Immune Deficiency Syndrome (AIDS)

Françoise Barré‐Sinoussi, Jean‐Claude Chermann, FA Rey et al. · Science · 1983 · 6.9K citations

Life Sciences, Microbiology, Molecular Biology +16

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

<i>Pneumocystis carinii</i>Pneumonia and Mucosal Candidiasis in Previously Healthy Homosexual Men

Michael S. Gottlieb, Robert W. Schroff, Howard M. Schanker et al. · New England Journal of Medicine · 1981 · 2.7K citations

Life Sciences, Immunology, Infectious Diseases +15