Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator.
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Recent Developments and Applications of the CHARMM force fieldsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsCHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataForce Field for Peptides and Proteins based on the Classical Drude OscillatorMetal Ion Modeling Using Classical MechanicsCHARMM additive and polarizable force fields for biophysics and computer-aided drug designAccurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers.Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective.Polarizable Atomic Multipole-based Molecular Mechanics for Organic MoleculesCurrent status of protein force fields for molecular dynamics simulations.Calculating pKa values for substituted phenols and hydration energies for other compounds with the first-order Fuzzy-Border continuum solvation model.Matching of additive and polarizable force fields for multiscale condensed phase simulations.Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.Molecular mechanics.Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator modelDrude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.Polarization effects in molecular mechanical force fieldsBalancing 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.Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.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.Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
P2860
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P2860
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
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
P1476
Polarizable empirical force fi ...... the classical Drude oscillator
@en
P2093
Guillaume Lamoureux
Pedro E M Lopes
P2860
P304
P356
10.1002/JCC.21183
P577
2009-09-01T00:00:00Z