Electrostatic effects of charge perturbations introduced by metal oxidation 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

Some Factors in the Interpretation of Protein Denaturation

W. Kauzmann · Advances in protein chemistry · 1959 · 4.9K citations

Life Sciences, Biochemistry, Protein Biochemistry +11

Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions

John G. Kirkwood · The Journal of Chemical Physics · 1934 · 1.5K citations

Natural Sciences, Chemistry, Computational Chemistry +16

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