(Q37395667)

20 August 2017

A coupled polarization-matrix inversion and iteration approach for accelerating the dipole convergence in a polarizable potential function (English)

1 reference

20 August 2017

Wangshen Xie

1

1 reference

20 August 2017

Jingzhi Pu

series ordinal

2

1 reference

20 August 2017

Jiali Gao

series ordinal

3

1 reference

20 August 2017

language of work or name

English

0 references

publication date

1 March 2009

1 reference

Journal of Physical Chemistry A

20 August 2017

1 reference

20 August 2017

113

1 reference

20 August 2017

10

1 reference

20 August 2017

2109-2116

1 reference

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

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

The Design of a Next Generation Force Field: The X-POL Potential

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Development of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanes.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Understanding the dielectric properties of liquid amides from a polarizable force field.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

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

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

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

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Force fields for protein simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Calculations of electrostatic properties in proteins. Analysis of contributions from induced protein dipoles

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

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

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

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

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2765495

Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules

2 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19123850

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19123850

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Special Issue on Polarization

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19123850

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP808952M

1 reference

20 August 2017

1 reference

20 August 2017

PubMed publication ID

19123850

1 reference