Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.
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Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsForce Field for Peptides and Proteins based on the Classical Drude OscillatorCHARMM additive and polarizable force fields for biophysics and computer-aided drug designCHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Current status of protein force fields for molecular dynamics simulations.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsDrude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.All-atom polarizable force field for DNA based on the classical Drude oscillator modelKirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.Mapping the Drude polarizable force field onto a multipole and induced dipole model.Direct computation of parameters for accurate polarizable force fields.Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field.The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties.CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses.Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
P2860
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P2860
Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.
description
article científic
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article scientifique
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articolo scientifico
@it
artigo científico
@pt
bilimsel makale
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scientific article published on October 2013
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
type
label
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
prefLabel
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
P2860
P356
P1433
P1476
Polarizable empirical force fi ...... the classical Drude oscillator
@en
P2093
Pedro E M Lopes
P2860
P304
P356
10.1002/BIP.22286
P577
2013-10-01T00:00:00Z