A new method for computing the macromolecular electric potential.
about
Biomolecular electrostatics and solvation: a computational perspectiveComputation of electrostatic forces between solvated molecules determined by the Poisson-Boltzmann equation using a boundary element methodIncorporating protein conformational flexibility into the calculation of pH-dependent protein properties.Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingProgress in developing Poisson-Boltzmann equation solvers."New-version-fast-multipole-method" accelerated electrostatic interactions in biomolecular systems.Application of the primary hydration shell approach to locally enhanced sampling simulated annealing: computer simulation of thyrotropin-releasing hormone in waterElectrostatics of charged dielectric spheres with application to biological systems.Prediction of desmoglein-3 peptides reveals multiple shared T-cell epitopes in HLA DR4- and DR6-associated pemphigus vulgarisPrediction of the binding energy for small molecules, peptides and proteins.APBSmem: a graphical interface for electrostatic calculations at the membrane.Computation of molecular electrostatics with boundary element methods.Boundary element solution of macromolecular electrostatics: interaction energy between two proteinsThe effect of a variable dielectric coefficient and finite ion size on Poisson-Boltzmann calculations of DNA-electrolyte systems.Conductance mutations of the nicotinic acetylcholine receptor do not act by a simple electrostatic mechanism.Calculation of electron transfer reorganization energies using the finite difference Poisson-Boltzmann model.Hydration and conformational equilibria of simple hydrophobic and amphiphilic solutesDynamical view of the positions of key side chains in protein-protein recognitionBluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Accurate solution of multi-region continuum biomolecule electrostatic problems using the linearized Poisson-Boltzmann equation with curved boundary elements.A "Reverse-Schur" Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and DesignNumerical integration techniques for curved-element discretizations of molecule-solvent interfaces.A generalized G-SFED continuum solvation free energy calculation model.Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.Discretization of the induced-charge boundary integral equation.A static accessibility model of protein antigenicity.Variable domain-linked oligosaccharides of a human monoclonal IgG: structure and influence on antigen binding.Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.MIBPB: a software package for electrostatic analysis.Treating entropy and conformational changes in implicit solvent simulations of small moleculesExploring accurate Poisson-Boltzmann methods for biomolecular simulations.AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS.What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules.Dielectric pressure in continuum electrostatic solvation of biomolecules.Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions.Electrostatics of a simple membrane model using Green's functions formalism.Multiscale molecular dynamics using the matched interface and boundary method.A New and Efficient Poisson-Boltzmann Solver for Interaction of Multiple Proteins.Electrostatic forces in the Poisson-Boltzmann systems.
P2860
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P2860
A new method for computing the macromolecular electric potential.
description
1985 nî lūn-bûn
@nan
1985年の論文
@ja
1985年学术文章
@wuu
1985年学术文章
@zh
1985年学术文章
@zh-cn
1985年学术文章
@zh-hans
1985年学术文章
@zh-my
1985年学术文章
@zh-sg
1985年學術文章
@yue
1985年學術文章
@zh-hant
name
A new method for computing the macromolecular electric potential.
@en
A new method for computing the macromolecular electric potential.
@nl
type
label
A new method for computing the macromolecular electric potential.
@en
A new method for computing the macromolecular electric potential.
@nl
prefLabel
A new method for computing the macromolecular electric potential.
@en
A new method for computing the macromolecular electric potential.
@nl
P1476
A new method for computing the macromolecular electric potential.
@en
P2093
P304
P356
10.1016/0022-2836(85)90399-7
P407
P577
1985-12-01T00:00:00Z