Polarizable molecular dynamics in a polarizable continuum solvent - Wikidata - wikimedia - TriplyDB

Polarizable molecular dynamics in a polarizable continuum solvent

Polarizable molecular dynamics in a polarizable continuum solvent

http://www.wikidata.org/entity/Q42599819

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Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald.Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteins.LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown.A new discretization for the polarizable continuum model within the domain decomposition paradigm.Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.Perspective: Polarizable continuum models for quantum-mechanical descriptions

P2860

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P2860

Polarizable molecular dynamics in a polarizable continuum solvent

http://www.wikidata.org/entity/Q42599819

description

2015 nî lūn-bûn

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2015年の論文

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2015年論文

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2015年論文

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2015年論文

@zh-hk

2015年論文

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2015年論文

@zh-tw

2015年论文

@wuu

2015年论文

@zh

2015年论文

@zh-cn

name

Polarizable molecular dynamics in a polarizable continuum solvent

@en

Polarizable molecular dynamics in a polarizable continuum solvent

@nl

type

label

Polarizable molecular dynamics in a polarizable continuum solvent

@en

Polarizable molecular dynamics in a polarizable continuum solvent

@nl

prefLabel

Polarizable molecular dynamics in a polarizable continuum solvent

@en

Polarizable molecular dynamics in a polarizable continuum solvent

@nl

P1433

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P1433

Journal of Chemical Theory and Computation

P1476

Polarizable molecular dynamics in a polarizable continuum solvent

@en

P2093

Eric Cancès

http://www.w3.org/2001/XMLSchema#string

Michael Schnieders

http://www.w3.org/2001/XMLSchema#string

Yvon Maday

http://www.w3.org/2001/XMLSchema#string

P2860

Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model

An efficient hybrid explicit/implicit solvent method for biomolecular simulations

Some practical approaches to treating electrostatic polarization of proteins.

Current status of the AMOEBA polarizable force field

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics.

Challenges in protein folding simulations: Timescale, representation, and analysis

Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up Strategy.

Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald.

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum

Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field

P304

623-634

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scholarly article

P356

10.1021/CT500998Q

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2

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11

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Benedetta Mennucci

Filippo Lipparini

Jean-Philip Piquemal

Christophe Raynaud

Louis Lagardère

P577

2015-01-26T00:00:00Z

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26516318

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4621208

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