(Q27902346)

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Bringing the MMFF force field to the RDKit: implementation and validation

scientific article (publication date: 12 July 2014)

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Bringing the MMFF force field to the RDKit: implementation and validation (English)

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main subject

Merck Molecular Force Field

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3

Gregory Landrum

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Paolo Tosco

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Paolo Tosco

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1

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Nikolaus Stiefl

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2

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Nikolaus Stiefl

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Nikolaus Stiefl

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2

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12 July 2014

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Journal of Cheminformatics

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6

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1

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Creative Commons Attribution 4.0 International

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12 July 2014

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cites work

Open Babel: An open chemical toolbox

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PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4116604

retrieved

20 March 2017

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4116604

retrieved

20 March 2017

Development and testing of a general amber force field

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4116604

retrieved

7 April 2017

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

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Crossref

reference URL

https://api.crossref.org/works/10.1186%2FS13321-014-0037-3

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1186%2FS13321-014-0037-3

retrieved

21 January 2018

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

stated in

COCI

reference URL

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0037-3

retrieved

2 January 2022

MMFF VI. MMFF94s option for energy minimization studies

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COCI

reference URL

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0037-3

retrieved

5 February 2023

Identifiers

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10.1186/S13321-014-0037-3

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

3324677

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journals/jcheminf/ToscoSL14

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DBLP Dataset 2021-01-02

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28 January 2021

Dimensions Publication ID

1020728460

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OpenCitations bibliographic resource ID

3324677

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

3324677

PMC publication ID

4116604

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ResearchGate publication ID

270665459

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(Q27902346)

Bringing the MMFF force field to the RDKit: implementation and validation

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