(Q42701776)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18802495%20AND%20SRC:MED&resulttype=core&format=json

14 January 2020

title

Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model (English)

1 reference

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14 January 2020

0 references

4

1 reference

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14 January 2020

author name string

Victor M Anisimov

series ordinal

1

1 reference

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14 January 2020

Igor V Vorobyov

series ordinal

2

1 reference

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14 January 2020

Benoît Roux

series ordinal

3

1 reference

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14 January 2020

publication date

1 January 2007

1 reference

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Journal of Chemical Theory and Computation

14 January 2020

published in

1 reference

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14 January 2020

volume

3

1 reference

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14 January 2020

issue

6

1 reference

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14 January 2020

page(s)

1927-1946

1 reference

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

14 January 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Polarizable empirical force field for aromatic compounds based on the classical drude oscillator

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Ab initio molecular dynamics: concepts, recent developments, and future trends

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Empirical force fields for biological macromolecules: overview and issues.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

The Cambridge Structural Database: a quarter of a million crystal structures and rising

27 May 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

27 May 2018

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Density-functional exchange-energy approximation with correct asymptotic behavior

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2542883

Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field

1 December 2018

1 reference

12 December 2020

Polarizable Empirical Force Field for Alkanes Based on the Classical Drude Oscillator Model

1 reference

12 December 2020

An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters

1 reference

12 December 2020

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

1 reference

12 December 2020

Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water.

1 reference

12 December 2020

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1 reference

12 December 2020

Identifiers

DOI

10.1021/CT700100A

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18802495%20AND%20SRC:MED&resulttype=core&format=json

14 January 2020

1 reference

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14 January 2020

PubMed publication ID

18802495

1 reference