Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations

Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations 

University of South Alabama, Department of Chemistry, Mobile, Alabama 36688 tBristol Myers-Squibb Pharmaceutical Research Institute, P.O. Box 4000, Princeton, New Jersey 08543 University of Houston, Department of Chemistry, Houston, Texas 77204 and SEuropean Molecular Biology Laboratory, Meyerhofstrasse 1, 6900 Heidelberg, Germany 

Large biological molecules, such as superoxide dismutase (SOD), triose phosphate isomerase (TIM), acetylcholinesterase, rhinovirus, bacteriorhodop-sin, antibodies, RNA, and DNA, have become accessible to theoretical study recently as a result of the availability of modern computers and sophisticated theories.Two rapidly emerging areas of interest are the computation of electrostatic interactions using continuum models- - and the simulation of diffusional motion in biopolymers and the diffusional encounters between lig- 

Reviews in Computational Chemistry, Volume V Kenny B. Lipkowitz and Donald B. Boyd, Editors VCH Publishers, Inc. New York, 1994 

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Madura J D, Davis M E, Gilson, M K, Wade R C, Luty B A and McCammon J A 1994 Biological applications of electrostatic calculations and Brownian dynamics simulations Rev. Comput. Chem. 5 229-67... 

Jeffry D. Madura, Malcolm E. Davis, Michael K. Gilson, Rebecca C. Wade, Brock A. Luty, and J. Andrew McCammon, Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations. 

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