about
The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors.Efficient treatment of induced dipoles.Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald.Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.Classical electrostatics for biomolecular simulations.The polarizable point dipoles method with electrostatic damping: implementation on a model system.The fast multipole method and point dipole moment polarizable force fields.Polarizable molecular dynamics in a polarizable continuum solventAn efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction.Fast divide-and-conquer algorithm for evaluating polarization in classical force fields.Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces.On the isotropy of induced multipole moments in heavy ion complexes.Ab initio folding of extended α-helix: a theoretical study about the role of electrostatic polarization in the folding of helical structures.Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.
P2860
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P2860
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
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2005年學術文章
@zh-hant
name
Fast evaluation of polarizable forces.
@en
Fast evaluation of polarizable forces.
@nl
type
label
Fast evaluation of polarizable forces.
@en
Fast evaluation of polarizable forces.
@nl
prefLabel
Fast evaluation of polarizable forces.
@en
Fast evaluation of polarizable forces.
@nl
P2860
P356
P1476
Fast evaluation of polarizable forces.
@en
P2093
Robert D Skeel
P2860
P304
P356
10.1063/1.2056544
P407
P577
2005-10-01T00:00:00Z