Calculations of electrostatic properties in proteins

<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 protein data bank: A computer-based archival file for macromolecular structures

F. C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology · 1977 · 8.6K citations

Life Sciences, Biochemistry, Bioinformatics +14

A new force field for molecular mechanical simulation of nucleic acids and proteins

Scott J. Weiner, Peter A. Kollman, David A. Case et al. · Journal of the American Chemical Society · 1984 · 4.6K citations

Natural Sciences, Biophysics, Molecular Biology +17

Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Arieh Warshel, Michael Levitt · Journal of Molecular Biology · 1976 · 4.5K citations

Natural Sciences, Biochemistry, Chemistry +17

Structure and mechanism of copper, zinc superoxide dismutase

John A. Tainer, Elizabeth D. Getzoff, Jane S. Richardson et al. · Nature · 1983 · 967 citations

Life Sciences, Biochemistry, Chemistry +8