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Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2010, 卷号: 229, 期号: 19, 页码: 6979-6994
Authors:  Lu, Benzhuo;  Holst, Michael J.;  McCammon, J. Andrew;  Zhou, Y. C.
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Electrodiffusion  Poisson-Nernst-Planck equations  Finite element  Singular charges  Molecular surface  Boundary condition  Conditioning  
AFMPB: An adaptive fast multipole, Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2010, 卷号: 181, 期号: 6, 页码: 1150-1160
Authors:  Lu, Benzhuo;  Cheng, Xiaolin;  Huang, Jingfang;  McCammon, J. Andrew
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Poisson-Boltzmann equation  Boundary integral equation  Node-patch method  Krylov subspace methods  Fast multipole methods  Diagonal translations  
Enzymatic Activity versus Structural Dynamics: The Case of Acetylcholinesterase Tetramer 期刊论文
BIOPHYSICAL JOURNAL, 2009, 卷号: 97, 期号: 3, 页码: 897-905
Authors:  Gorfe, Alemayehu A.;  Lu, Benzhuo;  Yu, Zeyun;  McCammon, J. Andrew
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An Adaptive Fast Multipole Boundary Element Method for Poisson-Boltzmann Electrostatics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2009, 卷号: 5, 期号: 6, 页码: 1692-1699
Authors:  Lu, Benzhuo;  Cheng, Xiaolin;  Huang, Jingfang;  McCammon, J. Andrew
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