Related references
Note: Only part of the references are listed.Accurate PDZ/Peptide Binding Specificity with Additive and Polarizable Free Energy Simulations
Nicolas Panel et al.
BIOPHYSICAL JOURNAL (2018)
A molecular Debye-Huckel theory and its applications to electrolyte solutions: The size asymmetric case
Tiejun Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions
Li Xiao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Extended Debye-Huckel Theory for Studying the Electrostatic Solvation Energy
Tiejun Xiao
CHEMPHYSCHEM (2015)
A molecular Debye-Huckel approach to the reorganization energy of electron transfer reactions in an electric cell
Tiejun Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
An ionic concentration and size dependent dielectric permittivity Poisson-Boltzmann model for biomolecular solvation studies
Hanlin Li et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Protein: Ligand Recognition: Simple Models for Electrostatic Effects
Thomas Simonson
CURRENT PHARMACEUTICAL DESIGN (2013)
Reorganization energy of electron transfer processes in ionic fluids: A molecular Debye-Huckel approach
Tiejun Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
A Continuum Model of Solvation Energies Including Electrostatic, Dispersion, and Cavity Contributions
Timothy T. Duignan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
A Continuum Solvent Model of the Multipolar Dispersion Solvation Energy
Timothy T. Duignan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
A molecular Debye-Huckel theory and its applications to electrolyte solutions
Tiejun Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density Using Proximal Radial Distribution Functions
Bin Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Importance of Accurate Dynamic Polarizabilities for the Ionic Dispersion Interactions of Alkali Halides
Drew F. Parsons et al.
LANGMUIR (2010)
Tetracycline-Tet Repressor Binding Specificity: Insights from Experiments and Simulations
Alexey Aleksandrov et al.
BIOPHYSICAL JOURNAL (2009)
Solvation dynamics in ionic fluids: An extended Debye-Huumlckel dielectric continuum model
Xueyu Song
JOURNAL OF CHEMICAL PHYSICS (2009)
Role of water in mediating the assembly of Alzheimer amyloid-β aβ16-22 protofilaments
Mary Griffin Krone et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Protein crystallization: from purified protein to diffraction-quality crystal
Naomi E. Chayen et al.
NATURE METHODS (2008)
From molten salts to ionic liquids: effect of ion asymmetry and charge distribution
Marco Malvaldi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Solvation of proteins: Linking thermodynamics to geometry
Hendrik Hansen-Goos et al.
PHYSICAL REVIEW LETTERS (2007)
Interactions between macromolecules and ions: the Hofmeister series
Yanjie Zhang et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2006)
Morphometric approach to the solvation free energy of complex molecules
Roland Roth et al.
PHYSICAL REVIEW LETTERS (2006)
DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism
Ilian T. Todorov et al.
JOURNAL OF MATERIALS CHEMISTRY (2006)
Improving implicit solvent simulations: a Poisson-centric view
NA Baker
CURRENT OPINION IN STRUCTURAL BIOLOGY (2005)
Dressed ion theory of size-asymmetric electrolytes: Effective ionic charges and the decay length of screened Coulomb potential and pair correlations
B Forsberg et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Recent advances in the development and application of implicit solvent models in biomolecule simulations
M Feig et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2004)
Comparison of the modified Poisson-Boltzmann theory with recent density functional theory and simulation results in the planar electric double layer
LB Bhuiyan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Morphological thermodynamics of fluids:: Shape dependence of free energies -: art. no. 160601
PM König et al.
PHYSICAL REVIEW LETTERS (2004)
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
MR Shirts et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Primary and secondary effective charges for electrical double layer systems with asymmetric electrolytes
J Ulander et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Asymmetric primitive-model electrolytes: Debye-Huckel theory, criticality, and energy bounds
DM Zuckerman et al.
PHYSICAL REVIEW E (2001)
Molecular dynamics study of screening in ionic fluids
P Keblinski et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
