(Q33841245)

29 July 2017

title

A quantum mechanical polarizable force field for biomolecular interactions (English)

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29 July 2017

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A G Donchev

1

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29 July 2017

V D Ozrin

2

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29 July 2017

M V Subbotin

3

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29 July 2017

O V Tarasov

4

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29 July 2017

V I Tarasov

5

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29 July 2017

language of work or name

English

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publication date

23 May 2005

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Proceedings of the National Academy of Sciences of the United States of America

29 July 2017

published in

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29 July 2017

volume

102

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29 July 2017

issue

22

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29 July 2017

page(s)

7829-7834

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Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests

29 July 2017

cites work

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1142387

5 July 2018

Polarizable force fields

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1142387

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

5 July 2018

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1142387

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n‐Alkane Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

A simple polarizable model of water based on classical Drude oscillators

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0502962102

Water polarizability in condensed phase: ab initio evaluation by cluster approach

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15911753

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0502962102

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29 July 2017

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29 July 2017

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