Recent progress in numerical methods for the Poisson-Boltzmann equation in biophysical applications BZ Lu, YC Zhou, MJ Holst, JA McCammon Commun Comput Phys 3 (5), 973-1009, 2008 | 369 | 2008 |
Poisson–Nernst–Planck equations for simulating biomolecular diffusion–reaction processes I: Finite element solutions B Lu, MJ Holst, JA McCammon, YC Zhou Journal of computational physics 229 (19), 6979-6994, 2010 | 192 | 2010 |
Order N algorithm for computation of electrostatic interactions in biomolecular systems B Lu, X Cheng, J Huang, JA McCammon Proceedings of the National Academy of Sciences 103 (51), 19314-19319, 2006 | 186 | 2006 |
Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain T Hou, K Chen, WA McLaughlin, B Lu, W Wang PLoS computational biology 2 (1), e1, 2006 | 182 | 2006 |
Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: Size effects on ionic distributions and diffusion-reaction rates B Lu, YC Zhou Biophysical journal 100 (10), 2475-2485, 2011 | 155 | 2011 |
Computation of electrostatic forces between solvated molecules determined by the Poisson–Boltzmann equation using a boundary element method B Lu, D Zhang, JA McCammon The Journal of chemical physics 122 (21), 2005 | 145 | 2005 |
Channel opening motion of α7 nicotinic acetylcholine receptor as suggested by normal mode analysis X Cheng, B Lu, B Grant, RJ Law, JA McCammon Journal of molecular biology 355 (2), 310-324, 2006 | 139 | 2006 |
Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution B Lu, YC Zhou, GA Huber, SD Bond, MJ Holst, JA McCammon The Journal of chemical physics 127 (13), 2007 | 104 | 2007 |
Improved ion transport and high energy conversion through hydrogel membrane with 3D interconnected nanopores W Chen, Q Wang, J Chen, Q Zhang, X Zhao, Y Qian, C Zhu, L Yang, ... Nano Letters 20 (8), 5705-5713, 2020 | 99 | 2020 |
Free Energy for the Permeation of Na+ and Cl− Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration … IV Khavrutskii, AA Gorfe, B Lu, JA McCammon Journal of the American Chemical Society 131 (5), 1706-1716, 2009 | 96 | 2009 |
Prediction of binding affinities between the human amphiphysin-1 SH3 domain and its peptide ligands using homology modeling, molecular dynamics and molecular field analysis T Hou, W McLaughlin, B Lu, K Chen, W Wang Journal of proteome research 5 (1), 32-43, 2006 | 80 | 2006 |
TMSmesh: A robust method for molecular surface mesh generation using a trace technique M Chen, B Lu Journal of Chemical Theory and Computation 7 (1), 203-212, 2011 | 78 | 2011 |
Improved ion transport in hydrogel-based nanofluidics for osmotic energy conversion W Chen, Q Zhang, Y Qian, W Xin, D Hao, X Zhao, C Zhu, XY Kong, B Lu, ... ACS Central Science 6 (11), 2097-2104, 2020 | 69 | 2020 |
A parallel finite element simulator for ion transport through three‐dimensional ion channel systems B Tu, M Chen, Y Xie, L Zhang, B Eisenberg, B Lu Journal of computational chemistry 34 (24), 2065-2078, 2013 | 68 | 2013 |
An Adaptive Fast Multipole Boundary Element Method for Poisson− Boltzmann Electrostatics B Lu, X Cheng, J Huang, JA McCammon Journal of chemical theory and computation 5 (6), 1692-1699, 2009 | 66 | 2009 |
Improved Boundary Element Methods for Poisson− Boltzmann Electrostatic Potential and Force Calculations B Lu, JA McCammon Journal of chemical theory and computation 3 (3), 1134-1142, 2007 | 62 | 2007 |
AFMPB: an adaptive fast multipole Poisson–Boltzmann solver for calculating electrostatics in biomolecular systems B Lu, X Cheng, J Huang, JA McCammon Computer Physics Communications 181 (6), 1150-1160, 2010 | 56 | 2010 |
“New-version-fast-multipole-method” accelerated electrostatic calculations in biomolecular systems B Lu, X Cheng, JA McCammon Journal of Computational Physics 226 (2), 1348-1366, 2007 | 56 | 2007 |
Charged porous asymmetric membrane for enhancing salinity gradient energy conversion S Hou, Q Zhang, Z Zhang, X Kong, B Lu, L Wen, L Jiang Nano Energy 79, 105509, 2021 | 54 | 2021 |
Release of ADP from the catalytic subunit of protein kinase A: A molecular dynamics simulation study B Lu, CF Wong, JA McCammon Protein science 14 (1), 159-168, 2005 | 52 | 2005 |