Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
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Multiscale method for modeling binding phenomena involving large objects: application to kinesin motor domains motion along microtubules.Progress in developing Poisson-Boltzmann equation solvers.Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsExploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.A Fast and Robust Poisson-Boltzmann Solver Based on Adaptive Cartesian Grids.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Modeling Protein-Ligand Binding by Mining Minima.Insights from free-energy calculations: protein conformational equilibrium, driving forces, and ligand-binding modesAcceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.Synergistic Modification Induced Specific Recognition between Histone and TRIM24 via Fluctuation Correlation Network AnalysisDynamics Correlation Network for Allosteric Switching of PreQ1 RiboswitchSynergistic Allosteric Mechanism of Fructose-1,6-bisphosphate and Serine for Pyruvate Kinase M2 via Dynamics Fluctuation Network AnalysisCrystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode.A revised density function for molecular surface definition in continuum solvent models.On-the-fly Numerical Surface Integration for Finite-Difference Poisson-Boltzmann Methods.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.Stereoisomers of oseltamivir - synthesis, in silico prediction and biological evaluation.Exploring accurate Poisson-Boltzmann methods for biomolecular simulations.Dielectric pressure in continuum electrostatic solvation of biomolecules.Modeling Membrane Protein-Ligand Binding Interactions: The Human Purinergic Platelet Receptor.Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions.Features of CPB: a Poisson-Boltzmann solver that uses an adaptive Cartesian gridSmall molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion.Electrostatic forces in the Poisson-Boltzmann systems.Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid.Quantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics.Numerical interpretation of molecular surface field in dielectric modeling of solvation.A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins.Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.Recent Developments and Applications of the MMPBSA Method.Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies.Electrostatics Explains the Position-Dependent Effect of G⋅U Wobble Base Pairs on the Affinity of RNA Kissing Complexes.Molecular origin of differences in hole and electron mobility in amorphous Alq3--a multiscale simulation study.Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition.Biological applications of classical electrostatics methodsRecent progress in adapting Poisson–Boltzmann methods to molecular simulationsComputational Analysis for the Rational Design of Anti-Amyloid Beta (Aβ) Antibodies
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P2860
Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh
2010年學術文章
@zh-hant
name
Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
@en
type
label
Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
@en
prefLabel
Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
@en
P2860
P356
P1476
Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.
@en
P2093
Meng-Juei Hsieh
P2860
P304
P356
10.1021/CT900381R
P577
2010-01-01T00:00:00Z