Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?

Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?

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http://www.wikidata.org/entity/Q58881112
On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function.On the energy components governing molecular recognition in the framework of continuum approachesA self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effectsOptimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Using the concept of transient complex for affinity predictions in CAPRI rounds 20-27 and beyond.Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols.Generalized Born forces: surface integral formulation.Parameterization for molecular Gaussian surface and a comparison study of surface mesh generation.Accuracy assessment of the linear Poisson-Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid-protein complexes.A differential equation for the Generalized Born radii.
P2860

Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?

Item
http://www.wikidata.org/entity/Q58881112
description
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2013
@uk
name
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@en
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@nl
type
label
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@en
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@nl
prefLabel
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@en
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P356
P1433
P1476
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
@en
P2093
P2860
P304
P31
P356
10.4208/CICP.270711.140911S
P433
P478
P577