Bimolecular Reaction Simulation Using Weighted Ensemble Brownian Dynamics and the University of Houston Brownian Dynamics Program

<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 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

Natural Sciences, Biochemistry, Chemistry +16

Brownian dynamics with hydrodynamic interactions

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

Natural Sciences, Biophysics, Physics +17

Determination and analysis of the 2 Å structure of copper, zinc superoxide dismutase

John A. Tainer, Elizabeth D. Getzoff, Karl M. Beem et al. · Journal of Molecular Biology · 1982 · 947 citations

Life Sciences, Biochemistry, Chemistry +7

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

Natural Sciences, Biophysics, Physics +12