Daniel T. Mainz

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

Life Sciences, Biophysics, Medicinal Chemistry +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

Parametrizing a polarizable force field from <i>ab initio</i> data. I. The fluctuating point charge model

Jay L. Banks, George A. Kaminski, Ruhong Zhou et al. · The Journal of Chemical Physics · 1999 · 250 citations

Natural Sciences, Biophysics, Chemistry +17

Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine

Yi Tang, Giovanna Ghirlanda, Nagarajan Vaidehi et al. · Biochemistry · 2001 · 161 citations

Natural Sciences, Biochemistry, Biophysics +17

New pseudospectral algorithms for electronic structure calculations: Length scale separation and analytical two-electron integral corrections

Burnham H. Greeley, Thomas Russo, Daniel T. Mainz et al. · The Journal of Chemical Physics · 1994 · 134 citations

Natural Sciences, Chemistry, Physics +11