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Journal of Chemical Theory and Computation|November 26, 2009
Perspective on Free-Energy Perturbation Calculations for Chemical EquilibriaWilliam L Jorgensen, Laura L ThomasThe Journal of Physical Chemistry. B|June 18, 2025
Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?William L Jorgensen, Julian Tirado-RivesThe Journal of Physical Chemistry. B|January 10, 2009
Origin of the activity drop with the E50D variant of catalytic antibody 34E4 for Kemp eliminationAnastassia N Alexandrova, William L JorgensenJournal of Chemical Theory and Computation|December 3, 2015
Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous SolutionsKasper P Jensen, William L JorgensenProceedings of the National Academy of Sciences of the United States of America|May 5, 2005
Potential energy functions for atomic-level simulations of water and organic and biomolecular systemsWilliam L Jorgensen, Julian Tirado-RivesBioorganic & Medicinal Chemistry Letters|January 30, 2002
Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear responseSteven S Wesolowski, William L JorgensenThe Journal of Physical Chemistry. B|January 26, 2007
Why urea eliminates ammonia rather than hydrolyzes in aqueous solutionAnastassia N Alexandrova, William L JorgensenThe Journal of Physical Chemistry. B|September 25, 2025
Polycyclic Aromatic Hydrocarbons: Solvation, Solubility, and Hydrophobic Effects from Monte Carlo SimulationsWilliam L Jorgensen, Julian Tirado-RivesThe Journal of Physical Chemistry. A|May 23, 2015
Probing the Hydrogen-Bonded Water Network at the Active Site of a Water Oxidation Catalyst: [Ru(bpy)(tpy)(H2O)](2+)·(H2O)(0-4)Erin M Duffy, Brett M Marsh, Etienne GarandThe Journal of Physical Chemistry. A|July 7, 2017
Vibrational Characterization of Microsolvated Electrocatalytic Water Oxidation Intermediate: [Ru(tpy)(bpy)(OH)]2+(H2O)0-4Erin M Duffy, Jonathan M Voss, Etienne GarandPageof 23