Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann models.
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Biomolecular electrostatics and solvation: a computational perspectiveFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Intrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans.Stereochemistry and position-dependent effects of carcinogens on TATA/TBP binding.Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume termsOn the role of electrostatics in protein-protein interactions.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventDielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.Molecular dynamics: survey of methods for simulating the activity of proteins.Effects of surface water on protein dynamics studied by a novel coarse-grained normal mode approach.Computational methods for biomolecular electrostatics.Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with Proteins.Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models?Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energiesClassical electrostatics for biomolecular simulations.A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies.Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.Electrostatics in proteins and protein-ligand complexes.AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS.Assessing the performance of implicit solvation models at a nucleic acid surface.A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model.Multiscale molecular dynamics using the matched interface and boundary method.Generalized Born forces: surface integral formulation.Quantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics.Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.Electrostatic Interactions in Protein Structure, Folding, Binding, and Condensation.Generalized Born implicit solvent models for small molecule hydration free energies.Application of the thin-shell formulation to the numerical modeling of Stern layer in biomolecular electrostatics.Numerical solution of boundary-integral equations for molecular electrostatics.Biological applications of classical electrostatics methods
P2860
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P2860
Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann models.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh-hant
name
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@en
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@nl
type
label
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@en
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@nl
prefLabel
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@en
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@nl
P356
P1476
Solvation forces on biomolecul ...... and Poisson-Boltzmann models.
@en
P2093
Jason Wagoner
P304
P356
10.1002/JCC.20089
P50
P577
2004-10-01T00:00:00Z