Structure activity and molecular modeling analyses of ribose- and base-modified uridine 5′-triphosphate analogues at the human P2Y2 and P2Y4 receptors

Receptors for Purines and Pyrimidines

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Medicine, Biochemistry, Pharmacology +10

Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

F. MOHAMADI, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry · 1990 · 3.8K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

Semianalytical treatment of solvation for molecular mechanics and dynamics

W. Clark Still, Anna Tempczyk, Ronald C. Hawley et al. · Journal of the American Chemical Society · 1990 · 3.7K citations

Natural Sciences, Chemistry, Computational Chemistry +16

An internal-coordinate Monte Carlo method for searching conformational space

George Chang, Wayne C. Guida, W. Clark Still · Journal of the American Chemical Society · 1989 · 1.1K citations

Natural Sciences, Chemistry, Computational Chemistry +9

MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries

Thomas A. Halgren · Journal of Computational Chemistry · 1999 · 719 citations

Natural Sciences, Biophysics, Chemistry +13