Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization.
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An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsImplementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of myoglobin.Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory.Classical electrostatics for biomolecular simulations.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field.Efficient optimization of van der Waals parameters from bulk properties.The critical effect of polarization on the dynamical structure of guanine quadruplex DNA.Dynamic changes in binding interaction networks of sex steroids establish their non-classical effects.Efficient parameterization of torsional terms for force fields.Biological applications of classical electrostatics methods
P2860
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P2860
Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization.
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2012 nî lūn-bûn
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2012 թուականի Յունիսին հրատարակուած գիտական յօդուած
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2012 թվականի հունիսին հրատարակված գիտական հոդված
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年學術文章
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name
Development of polarizable mod ...... van der Waals parametrization.
@ast
Development of polarizable mod ...... van der Waals parametrization.
@en
type
label
Development of polarizable mod ...... van der Waals parametrization.
@ast
Development of polarizable mod ...... van der Waals parametrization.
@en
prefLabel
Development of polarizable mod ...... van der Waals parametrization.
@ast
Development of polarizable mod ...... van der Waals parametrization.
@en
P2093
P2860
P356
P1476
Development of polarizable mod ...... van der Waals parametrization.
@en
P2093
Meng-Juei Hsieh
Piotr Cieplak
P2860
P304
P356
10.1021/JP3019759
P407
P577
2012-06-06T00:00:00Z