(Q46956792)

26 December 2017

title

Efficient optimization of van der Waals parameters from bulk properties (English)

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26 December 2017

author

Gerardo Andrés Cisneros

series ordinal

2

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26 December 2017

author name string

Steven K Burger

series ordinal

1

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26 December 2017

publication date

5 July 2013

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26 December 2017

Journal of Computational Chemistry

published in

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26 December 2017

volume

34

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26 December 2017

issue

27

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26 December 2017

page(s)

2313-2319

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26 December 2017

Molecular dynamics simulations of biomolecules

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Polarizable force fields

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Comparison of simple potential functions for simulating liquid water

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Soft-core potentials in thermodynamic integration: comparing one- and two-step transformations

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Ion solvation thermodynamics from simulation with a polarizable force field

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Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum

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Multipole electrostatics in hydration free energy calculations

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Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

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Identifiers

DOI

10.1002/JCC.23376

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26 December 2017

DBLP publication ID

journals/jcc/BurgerC13

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DBLP Dataset 2021-01-02

28 January 2021

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26 December 2017