Efficient optimization of van der Waals parameters from bulk properties.

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Multipolar Ewald methods, 2: applications using a quantum mechanical force field GEM*: A Molecular Electronic Density-Based Force Field for Molecular Dynamics Simulations

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Efficient optimization of van der Waals parameters from bulk properties.

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2013 nî lūn-bûn

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Efficient optimization of van der Waals parameters from bulk properties.

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Efficient optimization of van der Waals parameters from bulk properties.

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Efficient optimization of van der Waals parameters from bulk properties.

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Efficient optimization of van der Waals parameters from bulk properties.

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Efficient optimization of van der Waals parameters from bulk properties.

@en

Efficient optimization of van der Waals parameters from bulk properties.

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P1476

Efficient optimization of van der Waals parameters from bulk properties.

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P2093

Steven K Burger

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Comparison of simple potential functions for simulating liquid water

Systematic validation of protein force fields against experimental data

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Automatic atom type and bond type perception in molecular mechanical calculations

Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization.

Current status of the AMOEBA polarizable force field

Pathway and mechanism of drug binding to G-protein-coupled receptors.

Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data.

Gaussian Multipole Model (GMM)

Polarizable force fields.

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2313-2319

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scholarly article

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10.1002/JCC.23376

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

P478

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

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Gerardo Andrés Cisneros

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2013-07-05T00:00:00Z

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P698

23828265

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Efficient optimization of van der Waals parameters from bulk properties.

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P2860

P2860

Efficient optimization of van der Waals parameters from bulk properties.

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P1476

P2093

P2860

P304

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P433

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P698

P356

P1433

P1476

P2093

P2860

P304

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P50

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P698