Georgia B. McGaughey

π-Stacking Interactions

Georgia B. McGaughey, Marc Gagné, Anthony K. Rappé · Journal of Biological Chemistry · 1998 · 1.1K citations · Full text

Comparison of Topological, Shape, and Docking Methods in Virtual Screening

Georgia B. McGaughey, Robert P. Sheridan, Christopher I. Bayly et al. · Journal of Chemical Information and Modeling · 2007 · 415 citations

Drug Target, Hit Identification, Virtual Screening Methods +19

Discovery of the Dual Orexin Receptor Antagonist [(7<i>R</i>)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2<i>H</i>-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the Treatment of Insomnia

Christopher D. Cox, Michael J. Breslin, David B. Whitman et al. · Journal of Medicinal Chemistry · 2010 · 367 citations · Full text

Psychotropic Medication, Pharmacotherapy, Primary Insomnia +17

Molecular Shape and Medicinal Chemistry: A Perspective

Anthony Nicholls, Georgia B. McGaughey, Robert P. Sheridan et al. · Journal of Medicinal Chemistry · 2010 · 309 citations · Full text

Engineering, Molecular Shape, Biomedical Engineering +17

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

conor parks, Zied Gaieb, Michael Chiu et al. · Journal of Computer-Aided Molecular Design · 2020 · 138 citations · Full text

Blind Prediction, Engineering, Protein–ligand Poses +12