Improving implicit solvent simulations: a Poisson-centric view.
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.
Baker
Nathan A
NA
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
D000465:Algorithms; D001704:Biopolymers / Q000032:analysis / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012997:Solvents / Q000032:analysis / Q000737:chemistry*; D013816:Thermodynamics
D001704:Biopolymers; D012997:Solvents