Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
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Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions.Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density PartitioningHybrid QM/MM study of FMO complex with polarized protein-specific charge.pH Dependence of Charge Multipole Moments in Proteins.Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodologyIntroducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials
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Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 11 June 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
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
@en
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning.
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type
label
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
@en
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning.
@nl
prefLabel
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
@en
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning.
@nl
P2093
P2860
P356
P1476
Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning
@en
P2093
Chris-Kriton Skylaris
Daniel J Cole
Louis P Lee
Mike C Payne
P2860
P304
P356
10.1021/CT400279D
P577
2013-06-11T00:00:00Z