Brownian Dynamics Simulation of Protein–Protein Diffusional Encounter

<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

Engineering, Molecular Biology, Empirical Energy Function +21

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

William L. Jorgensen, Julian Tirado‐Rives · Journal of the American Chemical Society · 1988 · 5K citations

Engineering, Potential Functions, Protein Assembly +17

Brownian dynamics with hydrodynamic interactions

D.L. Ermak, J. Andrew McCammon · The Journal of Chemical Physics · 1978 · 2.5K citations

Engineering, Fluid Mechanics, Particle Method +16

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

Jeffry D. Madura, James M. Briggs, Rebecca C. Wade et al. · Computer Physics Communications · 1995 · 807 citations

Engineering, Physics, Applied Physics +7

Crystal Structure of a Complex Between Electron Transfer Partners, Cytochrome c Peroxidase and Cytochrome c

H. Pelletier, Joseph Kraut · Science · 1992 · 673 citations