Active site dynamics in protein molecules: A stochastic boundary molecular‐dynamics approach

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

1983 • 14,615 citations

Enzyme structure and mechanism

1977 • 2,935 citations

Enzyme structure and mechanism

1978 • 2,897 citations

Algorithms for macromolecular dynamics and constraint dynamics

1977 • 1,704 citations

DYNAMICS OF PROTEINS: ELEMENTS AND FUNCTION

1983 • 681 citations

Stochastic boundary conditions for molecular dynamics simulations of ST2 water

1984 • 596 citations

Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

1975 • 544 citations

Deformable stochastic boundaries in molecular dynamics

1983 • 470 citations

Dynamics of ligand binding to heme proteins

1979 • 440 citations

Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 Å resolution

1981 • 373 citations

The hinge-bending mode in lysozyme

1976 • 370 citations

Picosecond dynamics of tyrosine side chains in proteins

1979 • 336 citations

Effect of constraints on the dynamics of macromolecules

1982 • 293 citations

Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor.

1975 • 215 citations

Molecular dynamics with stochastic boundary conditions

1982 • 198 citations

Dynamical theory of activated processes in globular proteins.

1982 • 193 citations

Dynamics of DNA Oligomers

1983 • 192 citations

Time dependence of atomic fluctuations in proteins: analysis of local and collective motions in bovine pancreatic trypsin inhibitor

1982 • 154 citations

Simulation of Protein Dynamics

1980 • 132 citations

Dynamics of liquid state chemical reactions: Vibrational energy relaxation of molecular iodine in liquid solution

1983 • 62 citations

Proton nuclear Overhauser effects and protein dynamics

1981 • 50 citations

Generalized Langevin models and condensed-phase chemical reaction dynamics

1982 • 42 citations

Generalized Langevin theory for many-body problems in chemical dynamics: Modelling of solid and liquid state response functions

1980 • 40 citations

Molecular dynamics of ferrocytochrome c: Time dependence of the atomic displacements

1983 • 29 citations