Bimolecular reaction simulation using Weighted Ensemble Brownian dynamics and the University of Houston Brownian Dynamics program

Biophysical Journal

Volumn 79, Issue 2, 2000, Pages 686-693

  Rojnuckarin, Atipat ^a   Livesay, Dennis R ^b   Subramaniam, Shankar ^b,c  

^a University of Wisconsin Madison   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER ZINC SUPEROXIDE DISMUTASE; MONOCLONAL ANTIBODY; SWEETENING AGENT;

ALGORITHM; ANTIGEN BINDING; ARTICLE; CATALYSIS; ENERGY; ENZYME BINDING; ENZYME SUBSTRATE; KINETICS; MOLECULAR DYNAMICS;

EID: 0033879436     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(00)76327-2     Document Type: Article

References (6)

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2. Allison, S. A., and J. A. McCammon. 1984. Transport properties of rigid and flexible macromolecules by Brownian dynamics simulation. Biopolymers. 23:167-187.
3. Antosiewicz, J., M. K. Gilson, I. H. Lee, and J. A. McCammon. 1995. Acetylcholinesterase. Diffusion encounter rate constants for dumbbell models of ligand. Biophys. J. 68:62-67.
4. Antosiewicz, J., and J. A. McCammon. 1995. Electrostatic and hydrodynamic orientational steering effects in enzyme-substrate association. Biophys. J. 69:57-65.
5. Brooks, B. R., R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus. 1983. CHARMM: a program for macromolecular energy, minimization and dynamics calculations. J. Comp. Chem. 4:187-217.
6. Davis, M. E., J. D. Madura, B. A. Luty, and J. A. McCammon. 1991a. Electrostatics and diffusion of molecules in solution: simulation with the University of Houston Brownian Dynamics program. Comput. Phys. Commun. 62:187-197.