Jeremy R. Greenwood

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

Epik: a software program for pK a prediction and protonation state generation for drug-like molecules

John C. Shelley, Anuradha Cholleti, Leah L. Frye et al. · Journal of Computer-Aided Molecular Design · 2007 · 2.1K citations

Pharmacy, Medicinal Chemistry, Pharmacology +11

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

Arteum D. Bochevarov, Edward Harder, Thomas F. Hughes et al. · International Journal of Quantum Chemistry · 2013 · 1.8K citations · Full text

Natural Sciences, Chemistry, Materials Science +14

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

Lingle Wang, Yujie Wu, Yuqing Deng et al. · Journal of the American Chemical Society · 2015 · 1.4K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

Jeremy R. Greenwood, David R. Calkins, Arron Sullivan et al. · Journal of Computer-Aided Molecular Design · 2010 · 989 citations

Natural Sciences, Chemistry, Medicinal Chemistry +11