Author: Q Cai; X Ye; J Wang; R Luo;

Title: Dielectric boundary force in numerical Poisson-Boltzmann methods: Theory and numerical strategies

Journal: CHEMICAL PHYSICS LETTERS

Year: 2011

Volume: 514

Page: 368 - 373


Author: MJ Hsieh; R Luo;

Title: Exploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations

Journal: JOURNAL OF MOLECULAR MODELING

Year: 2011

Volume: 17

Page: 1985 - 1996


Author: ZC Gan; ZL Xu;

Title: Multiple-image treatment of induced charges in Monte Carlo simulations of electrolytes near a spherical dielectric interface

Journal: PHYSICAL REVIEW E

Year: 2011

Volume: 84


Author: AW Lange; JM Herbert;

Title: A simple polarizable continuum solvation model for electrolyte solutions

Journal: JOURNAL OF CHEMICAL PHYSICS

Year: 2011

Volume: 134


Author: ZL Xu; W Cai; XL Cheng;

Title: Image Charge Method for Reaction Fields in a Hybrid Ion-Channel Model

Journal: COMMUNICATIONS IN COMPUTATIONAL PHYSICS

Year: 2011

Volume: 9

Page: 1056 - 1070


Author: ZL Xu; XL Cheng; HZ Yang;

Title: Treecode-based generalized Born method

Journal: JOURNAL OF CHEMICAL PHYSICS

Year: 2011

Volume: 134


Author: ZL Xu; W Cai;

Title: Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations

Journal: SIAM REVIEW

Year: 2011

Volume: 53

Page: 683 - 720


Author: MX Chen; BZ Lu;

Title: TMSmesh: A Robust Method for Molecular Surface Mesh Generation Using a Trace Technique

Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Year: 2011

Volume: 7

Page: 203 - 212


Author: FR Salsbury;

Title: Molecular dynamics simulations of protein dynamics and their relevance to drug discovery

Journal: CURRENT OPINION IN PHARMACOLOGY

Year: 2010

Volume: 10

Page: 738 - 744


Author: J Wang; R Luo;

Title: Assessment of Linear Finite-Difference Poisson-Boltzmann Solvers

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY

Year: 2010

Volume: 31

Page: 1689 - 1698


Author: S Weggler; V Rutka; A Hildebrandt;

Title: A new numerical method for nonlocal electrostatics in biomolecular simulations

Journal: JOURNAL OF COMPUTATIONAL PHYSICS

Year: 2010

Volume: 229

Page: 4059 - 4074


Author: WM Berhanu; AE Masunov;

Title: Natural polyphenols as inhibitors of amyloid aggregation. Molecular dynamics study of GNNQQNY heptapeptide decamer

Journal: BIOPHYSICAL CHEMISTRY

Year: 2010

Volume: 149

Page: 12 - 21


Author: X Ye; J Wang; R Luo;

Title: A Revised Density Function for Molecular Surface Calculation in Continuum Solvent Models

Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Year: 2010

Volume: 6

Page: 1157 - 1169


Author: LB Pereyaslavets; AV Finkelstein;

Title: Atomic force field FFsol for calculating molecular interactions in water environment

Journal: MOLECULAR BIOLOGY

Year: 2010

Volume: 44

Page: 303 - 316


Author: Q Cai; MJ Hsieh; J Wang; R Luo;

Title: Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers

Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Year: 2010

Volume: 6

Page: 203 - 211


Author: A Kocjan; PJ McGuiness; S Kobe;

Title: Desorption of hydrogen from Ti-Zr-Ni hydrides using a mass spectrometer

Journal: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Year: 2010

Volume: 35

Page: 259 - 265


Author: J Wang; CH Tan; E Chanco; R Luo;

Title: Quantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics

Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Year: 2010

Volume: 12

Page: 1194 - 1202


Author: PH Qin; ZL Xu; W Cai; D Jacobs;

Title: Image Charge Methods for a Three-Dielectric-Layer Hybrid Solvation Model of Biomolecules

Journal: COMMUNICATIONS IN COMPUTATIONAL PHYSICS

Year: 2009

Volume: 6

Page: 955 - 977


Author: YC Lin; A Baumketner; SZ Deng; ZL Xu; D Jacobs; W Cai;

Title: An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions

Journal: JOURNAL OF CHEMICAL PHYSICS

Year: 2009

Volume: 131


Author: Q Cai; J Wang; HK Zhao; R Luo;

Title: On removal of charge singularity in Poisson-Boltzmann equation

Journal: JOURNAL OF CHEMICAL PHYSICS

Year: 2009

Volume: 130


Author: D Shivakumar; YQ Deng; B Roux;

Title: Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model

Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Year: 2009

Volume: 5

Page: 919 - 930