Improving implicit solvent simulations: a Poisson-centric view.

by: NA Baker

Curr Opin Struct Biol, Vol. 15, No. 2. (April 2005), pp. 137-143.

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Abstract

Recent developments in implicit solvent models may be compared in terms of accuracy and computational efficiency. Based on improvements in the accuracy of generalized Born methods and the speed of Poisson-Boltzmann solvers, it appears that the two techniques are converging to a point at which both will be suitable for simulating certain types of biomolecular systems over sizable time and length scales.

@article{citeulike:334382, abstract = {Recent developments in implicit solvent models may be compared in terms of accuracy and computational efficiency. Based on improvements in the accuracy of generalized Born methods and the speed of Poisson-Boltzmann solvers, it appears that the two techniques are converging to a point at which both will be suitable for simulating certain types of biomolecular systems over sizable time and length scales.}, address = {Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St Louis, 700 South Euclid Avenue, Campus Box 8036, St Louis, MO 63110, USA. baker@biochem.wustl.edu}, author = {Baker, N. A. }, citeulike-article-id = {334382}, doi = {10.1016/j.sbi.2005.02.001}, issn = {0959-440X}, journal = {Curr Opin Struct Biol}, keywords = {electrostatics, implicit\_solvent, md}, month = {April}, number = {2}, pages = {137--143}, posted-at = {2007-12-03 20:08:08}, priority = {2}, title = {Improving implicit solvent simulations: a Poisson-centric view.}, url = {http://dx.doi.org/10.1016/j.sbi.2005.02.001}, volume = {15}, year = {2005} }

RIS record

TY - JOUR ID - citeulike:334382 L3 - citeulike-article-id:334382 TI - Improving implicit solvent simulations: a Poisson-centric view. JF - Curr Opin Struct Biol VL - 15 IS - 2 SP - 137 EP - 143 AD - Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St Louis, 700 South Euclid Avenue, Campus Box 8036, St Louis, MO 63110, USA. baker@biochem.wustl.edu SN - 0959-440X N2 - Recent developments in implicit solvent models may be compared in terms of accuracy and computational efficiency. Based on improvements in the accuracy of generalized Born methods and the speed of Poisson-Boltzmann solvers, it appears that the two techniques are converging to a point at which both will be suitable for simulating certain types of biomolecular systems over sizable time and length scales. KW - electrostatics KW - implicit_solvent KW - md AU - Baker, NA PY - 2005/04// UR - http://dx.doi.org/10.1016/j.sbi.2005.02.001 ER -

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