Articles

• Preface

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  126 90 Pages:i-v

• Poisson-Boltzmann Calculations: Van Der Waals or Molecular Surface?

  Xiaodong Pang & Huan-Xiang Zhou

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  41191 4436 Pages:1-12

• Using DelPhi Capabilities to Mimic Protein's Conformational Reorganization with Amino Acid Specific Dielectric Constants

  Lin Wang, Zhe Zhang, Walter Rocchia & Emil Alexov

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  40971 4471 Pages:13-30

• Computational Modeling of Solvent Effects on Protein-Ligand Interactions Using Fully Polarizable Continuum Model and Rational Drug Design

  Fang Zheng & Chang-Guo Zhan

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  40903 4494 Pages:31-60

• Between Algorithm and Model: Different Molecular Surface Definitions for the Poisson-Boltzmann Based Electrostatic Characterization of Biomolecules in Solution

  Sergio Decherchi, José Colmenares, Chiara Eva Catalano, Michela Spagnuolo, Emil Alexov & Walter Rocchia

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  40814 4480 Pages:61-89

• Modeling the Influence of Salt on the Hydrophobic Effect and Protein Fold Stability

  Mihir S. Date & Brian N. Dominy

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  42531 6119 Pages:90-106

• Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

  Bo Zhang, Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, Nikos P. Pitsianis, Xiaobai Sun & J. Andrew McCammon

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  41033 4410 Pages:107-128

• Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model

  Wei Song, Yuchun Lin, Andrij Baumketner, Shaozhong Deng, Wei Cai & Donald J. Jacobs

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  41216 4405 Pages:129-149

• An Adaptive, Finite Difference Solver for the Nonlinear Poisson-Boltzmann Equation with Applications to Biomolecular Computations

  Mohammad Mirzadeh, Maxime Theillard, Asdís Helgadóttir, David Boy & Frédéric Gibou

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  40810 4537 Pages:150-173

• A Modified Nonlocal Continuum Electrostatic Model for Protein in Water and Its Analytical Solutions for Ionic Born Models

  Dexuan Xie & Hans W. Volkmer

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  40891 4364 Pages:174-194

• Numerical Optimization of a Walk-on-Spheres Solver for the Linear Poisson-Boltzmann Equation

  Travis Mackoy, Robert C. Harris, Jesse Johnson, Michael Mascagni & Marcia O. Fenley

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  41052 4367 Pages:195-206

• In Silico Investigation of pH-Dependence of Prolactin and Human Growth Hormone Binding to Human Prolactin Receptor

  Lin Wang, Shawn Witham, Zhe Zhang, Lin Li, Michael Hodsdon & Emil Alexov

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  40595 4431 Pages:207-222

• Examining Electrostatic Influences on Base-Flipping: A Comparison of TIP3P and GB Solvent Models

  Allyn R. Brice & Brian N. Dominy

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  40693 4421 Pages:223-237

• Structural Determinants of a Typical Leucine-Rich Repeat Protein

  Joao M. Martins, Rui M. Ramos & Irina S. Moreira

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  40788 4454 Pages:238-255

• DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi

  Lane W. Votapka, Luke Czapla, Maxim Zhenirovskyy & Rommie E. Amaro

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  41030 4423 Pages:256-268

• DelPhi Web Server: A Comprehensive Online Suite for Electrostatic Calculations of Biological Macromolecules and Their Complexes

  Subhra Sarkar, Shawn Witham, Jie Zhang, Maxim Zhenirovskyy, Walter Rocchia & Emil Alexov

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  41692 4717 Pages:269-284

• Quantum Dynamics in Continuum for Proton Transport I: Basic Formulation

  Duan Chen & Guo-Wei Wei

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  40949 4399 Pages:285-324