Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

Natural Sciences, Computer Science, Physics +12

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

The interpretation of protein structures: Estimation of static accessibility

B. Lee, F.M. Richards · Journal of Molecular Biology · 1971 · 5.9K citations

Life Sciences, Biochemistry, Biophysics +12

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

Donald Bashford, Martin Karplus · Biochemistry · 1990 · 1.1K citations

Natural Sciences, Biophysics, Chemistry +17

Calculation of the electric potential in the active site cleft due to α-helix dipoles

Jim Warwicker, H.C. Watson · Journal of Molecular Biology · 1982 · 934 citations

Natural Sciences, Biochemistry, Biophysics +12