The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology
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journal
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January 2002 |
The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology
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January 2002 |
Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations
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journal
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April 2018 |
A Multigrid Tutorial, Second Edition
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book
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January 2000 |
Electrostatics of nanosystems: Application to microtubules and the ribosome
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journal
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August 2001 |
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver
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journal
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November 2016 |
Adaptive mesh refinement for hyperbolic partial differential equations
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journal
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March 1984 |
Intrinsically smooth discretisation of Connolly's solvent-excluded molecular surface
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journal
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July 2019 |
Conformational energy of glycine in aqueous solutions and relative stability of the zwitterionic and neutral forms. An ab initio study
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journal
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April 1984 |
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
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journal
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January 2016 |
Salting out and salting in of benzene in water: a consistency evaluation
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journal
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January 2018 |
Random sample consensus: a paradigm for model fitting with applications to image analysis and automated cartography
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journal
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June 1981 |
Effect of Electrolyte Concentration on the Stern Layer Thickness at a Charged Interface
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February 2016 |
The Dielectric Polarization of Polar Liquids
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October 1939 |
A Universal Approach to Solvation Modeling
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journal
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June 2008 |
Ueber einige Gesetze der Vertheilung elektrischer Ströme in körperlichen Leitern mit Anwendung auf die thierisch-elektrischen Versuche
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journal
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January 1853 |
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions
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April 2017 |
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
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June 1996 |
Electric Moments of Molecules in Liquids
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August 1936 |
Salting-out effects by pressure-corrected 3D-RISM
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journal
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November 2016 |
Polyelectrolyte theory. 3. The surface potential in mixed-salt solutions
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journal
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March 1981 |
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
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journal
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January 2019 |
Calculating total electrostatic energies with the nonlinear Poisson-Boltzmann equation
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journal
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September 1990 |
Structure, Stability, and Thermodynamics of Lamellar DNA-Lipid Complexes
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journal
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July 1998 |
Soft-Sphere Continuum Solvation in Electronic-Structure Calculations
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journal
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July 2017 |
Family of Oxygen–Oxygen Radial Distribution Functions for Water
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journal
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July 2015 |
Determination of sets of solute descriptors from chromatographic measurements
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journal
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May 2004 |
Topological Modeling of the Setschenow Constant
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journal
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July 2004 |
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
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journal
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February 2017 |
Electrostatic Free Energy and Its Variations in Implicit Solvent Models
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journal
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March 2008 |
Salting-Out Effect in Aqueous NaCl Solutions: Trends with Size and Polarity of Solute Molecules
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journal
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January 2012 |
New and Efficient Poisson−Boltzmann Solver for Interaction of Multiple Proteins
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journal
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June 2010 |
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
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journal
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August 1997 |
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
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journal
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September 2014 |
Quantum Mechanical Continuum Solvation Models
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journal
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October 2005 |
Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays
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journal
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May 2020 |
Individual Activity Coefficients of Ions in Aqueous Solutions
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journal
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September 1937 |
Excited states and solvatochromic shifts within a nonequilibrium solvation approach: A new formulation of the integral equation formalism method at the self-consistent field, configuration interaction, and multiconfiguration self-consistent field level
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journal
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August 1998 |
Determination of the solubility behavior of some polycyclic aromatic hydrocarbons in water
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journal
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June 1978 |
Quantum Mechanical Continuum Solvation Models
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journal
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August 2005 |
Monovalent and Divalent Salt Effects on Electrostatic Free Energies Defined by the Nonlinear Poisson−Boltzmann Equation: Application to DNA Binding Reactions
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journal
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October 1997 |
Computational studies of polyurethanases from Pseudomonas
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journal
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January 2021 |
Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface
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journal
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June 2018 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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journal
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January 2005 |
LI. A contribution to the theory of electrocapillarity
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journal
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April 1913 |
Convergence acceleration of iterative sequences. the case of scf iteration
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journal
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July 1980 |
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
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journal
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February 2014 |
Multi-Level Adaptive Solutions to Boundary-Value Problems
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journal
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April 1977 |
Local adaptive mesh refinement for shock hydrodynamics
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journal
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May 1989 |
Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory
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journal
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June 2008 |
Sur la constitution de la charge électrique à la surface d'un électrolyte
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journal
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January 1910 |
ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy
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journal
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January 2014 |
Evaluation of Ion Binding to DNA Duplexes Using a Size-Modified Poisson-Boltzmann Theory
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journal
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November 2007 |
A simple polarizable continuum solvation model for electrolyte solutions
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journal
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May 2011 |
Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges
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journal
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December 1995 |
ImprovedSCF convergence acceleration
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journal
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January 1982 |
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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journal
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February 1995 |
Polyelectrolyte electrostatics: Salt dependence, entropic, and enthalpic contributions to free energy in the nonlinear Poisson-Boltzmann model
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journal
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August 1995 |
Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
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journal
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February 1981 |
Evaluation of Ion Binding to DNA Duplexes Using a Size-Modified Poisson-Boltzmann Theory
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journal
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November 2007 |
Ab initio molecular simulations with numeric atom-centered orbitals
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journal
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November 2009 |
DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
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journal
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February 2018 |
The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species
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journal
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August 2016 |
Use of the Poisson−Boltzmann Equation To Estimate The Electrostatic Free Energy Barrier for Dielectric Models of Biological Ion Channels
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journal
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July 1997 |
High Order Compact Multigrid Solver for Implicit Solvation Models
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journal
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November 2018 |
Ab initio molecular simulations with numeric atom-centered orbitals
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journal
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November 2009 |
Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications
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journal
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December 1997 |
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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journal
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August 1999 |
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
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journal
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February 2006 |
Revised self-consistent continuum solvation in electronic-structure calculations
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journal
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February 2012 |
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
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text
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January 2005 |
Function-Space-Based Solution Scheme for the Size-Modified Poisson–Boltzmann Equation in Full-Potential DFT
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journal
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July 2016 |
Poisson–Boltzmann versus Size-Modified Poisson–Boltzmann Electrostatics Applied to Lipid Bilayers
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journal
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December 2014 |
Estimation of Dimerisation Constants from Complexatin-Induced Displacements of1H-NMR Chemical Shifts: Dimerisation of Caffeine
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journal
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May 1984 |
Activity Coefficients of Nonelectrolyte Solutes in Aqueous Salt Solutions.
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journal
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August 1952 |
Effect of Electrolyte Concentration on the Stern Layer Thickness at a Charged Interface
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journal
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February 2016 |
Multigrid elliptic equation solver with adaptive mesh refinement
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journal
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November 2005 |
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
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text
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January 2016 |
A Fast and Robust Poisson–Boltzmann Solver Based on Adaptive Cartesian Grids
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journal
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April 2011 |
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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journal
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February 1995 |
Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes
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journal
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January 1993 |