(Q41315273)

English

Development of polarizable models for molecular mechanical calculations. 3. Polarizable water models conforming to Thole polarization screening schemes

scientific article published on 5 July 2012

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Development of polarizable models for molecular mechanical calculations. 3. Polarizable water models conforming to Thole polarization screening schemes (English)

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

object named as

Jun Wang

1

0 references

object named as

Junmei Wang

5

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object named as

Ray Luo

7

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author name string

Piotr Cieplak

2

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Qin Cai

3

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Meng-Juei Hsieh

4

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Yong Duan

6

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

language of work or name

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publication date

5 July 2012

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Journal of Physical Chemistry B

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Europe PubMed Central

PMC publication ID

29 September 2017

116

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

28

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

7999-8008

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

Polarization effects in molecular mechanical force fields

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

1 October 2017

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

1 October 2017

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

1 October 2017

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

1 October 2017

Development of polarizable models for molecular mechanical calculations II: induced dipole models significantly improve accuracy of intermolecular interaction energies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

14 June 2018

Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizability

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

14 June 2018

Development of a nonlinear classical polarization model for liquid water and aqueous solutions: COS/D.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

19 August 2018

Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3493849

2 December 2018

Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface

1 reference

https://pubmed.ncbi.nlm.nih.gov/22712654

12 December 2020

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inferred from PubMed ID database lookup

Identifiers

10.1021/JP212117D

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

29 September 2017

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