Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates (Q38965242)

http://europepmc.org/abstract/PMC/5392138

8 June 2018

title

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates (English)

1 reference

http://europepmc.org/abstract/PMC/5392138

8 June 2018

0 references

4

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

author name string

Meagan C Small

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Asaminew H Aytenfisu

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Fang-Yu Lin

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Alexander D MacKerell

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

publication date

11 February 2017

1 reference

http://europepmc.org/abstract/PMC/5392138

8 June 2018

published in

Journal of Computer - Aided Molecular Design

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

volume

31

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11 June 2020

issue

4

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11 June 2020

page(s)

349-363

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

11 June 2020

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CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides

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Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

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Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.

17 June 2018

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A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids

17 June 2018

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17 June 2018

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Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

17 June 2018

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Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential

17 June 2018

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Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations

17 June 2018

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Polarizable Simulations with Second order Interaction Model (POSSIM) force field: Developing parameters for alanine peptides and protein backbone

17 June 2018

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High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMD

17 June 2018

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Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects

17 June 2018

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

17 June 2018

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Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator model

17 June 2018

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Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

17 June 2018

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Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.

17 June 2018

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CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates and Inositol

17 June 2018

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Current status of the AMOEBA polarizable force field

17 June 2018

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17 June 2018

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Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential

17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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

17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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21 August 2018

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21 August 2018

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AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATA

21 January 2018

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21 January 2018

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Development of a simple, self-consistent polarizable model for liquid water

21 January 2018

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Computer simulation and the dielectric constant of polarizable polar systems

21 January 2018

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Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator

21 January 2018

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21 January 2018

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Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator

21 January 2018

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Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

21 January 2018

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21 January 2018

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21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/28190218

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-017-0010-0

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/SmallALHM17

11 June 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28190218%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

PubMed publication ID

28190218

1 reference