(Q51466664)

5 April 2018

title

Communication: Quantum polarized fluctuating charge model: a practical method to include ligand polarizability in biomolecular simulations. (English)

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5 April 2018

author name string

S Roy Kimura

series ordinal

1

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5 April 2018

Ramkumar Rajamani

series ordinal

2

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5 April 2018

David R Langley

series ordinal

3

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5 April 2018

language of work or name

English

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publication date

1 December 2011

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5 April 2018

Journal of Chemical Physics

published in

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5 April 2018

volume

135

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5 April 2018

issue

23

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5 April 2018

page(s)

231101

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5 April 2018

Molecular dynamic simulations of environment and sequence dependent DNA conformations: the development of the BMS nucleic acid force field and comparison with experimental results

cites work

1 reference

Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach

21 January 2018

1 reference

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

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

MM-GB/SA rescoring of docking poses in structure-based lead optimization.

21 January 2018

1 reference

Electrostatic polarization makes a substantial contribution to the free energy of avidin-biotin binding

21 January 2018

1 reference

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applications

21 January 2018

1 reference

CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations.

21 January 2018

1 reference

Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

21 January 2018

1 reference

A priori evaluation of aqueous polarization effects through Monte Carlo QM-MM simulations.

21 January 2018

1 reference

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

21 January 2018

1 reference

X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water

21 January 2018

1 reference

Advances in methods and algorithms in a modern quantum chemistry program package.

21 January 2018

1 reference

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

21 January 2018

1 reference

Affinities of amino acid side chains for solvent water

21 January 2018

1 reference

NAMD: a Parallel, Object-Oriented Molecular Dynamics Program

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1177/109434209601000401

22 October 2022

Identifiers

DOI

10.1063/1.3671638

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5 April 2018

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5 April 2018