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AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems.

Computer physics communications

Lu B, Cheng X, Huang J, McCammon JA.
PMID: 20532187
Comput Phys Commun. 2010 Jun 01;181(6):1150-1160. doi: 10.1016/j.cpc.2010.02.015.

A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretization scheme,...

Cite
Lu B, Cheng X, Huang J, et al. AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems. Comput Phys Commun. 2010;181(6):1150-1160doi: 10.1016/j.cpc.2010.02.015.
Lu, B., Cheng, X., Huang, J., & McCammon, J. A. (2010). AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems. Computer physics communications, 181(6), 1150-1160. https://doi.org/10.1016/j.cpc.2010.02.015
Lu, Benzhuo, et al. "AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems." Computer physics communications vol. 181,6 (2010): 1150-1160. doi: https://doi.org/10.1016/j.cpc.2010.02.015
Lu B, Cheng X, Huang J, McCammon JA. AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems. Comput Phys Commun. 2010 Jun 01;181(6):1150-1160. doi: 10.1016/j.cpc.2010.02.015. PMID: 20532187; PMCID: PMC2880819.
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Browndye: A Software Package for Brownian Dynamics.

Computer physics communications

Huber GA, McCammon JA.
PMID: 21132109
Comput Phys Commun. 2010 Nov 01;181(11):1896-1905. doi: 10.1016/j.cpc.2010.07.022.

A new software package, Browndye, is presented for simulating the diffusional encounter of two large biological molecules. It can be used to estimate second-order rate constants and encounter probabilities, and to explore reaction trajectories. Browndye builds upon previous knowledge...

Cite
Huber GA, McCammon JA. Browndye: A Software Package for Brownian Dynamics. Comput Phys Commun. 2010;181(11):1896-1905doi: 10.1016/j.cpc.2010.07.022.
Huber, G. A., & McCammon, J. A. (2010). Browndye: A Software Package for Brownian Dynamics. Computer physics communications, 181(11), 1896-1905. https://doi.org/10.1016/j.cpc.2010.07.022
Huber, Gary A, and McCammon, J Andrew. "Browndye: A Software Package for Brownian Dynamics." Computer physics communications vol. 181,11 (2010): 1896-1905. doi: https://doi.org/10.1016/j.cpc.2010.07.022
Huber GA, McCammon JA. Browndye: A Software Package for Brownian Dynamics. Comput Phys Commun. 2010 Nov 01;181(11):1896-1905. doi: 10.1016/j.cpc.2010.07.022. PMID: 21132109; PMCID: PMC2994412.
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Showing 1 to 2 of 2 entries