ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data (Q31160128)

29 June 2017

title

ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data (English)

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29 June 2017

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1

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11 June 2020

Mark S. Gordon

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11 June 2020

Theresa L. Windus

4

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11 June 2020

Marilu Dick-Perez

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11 June 2020

author name string

Nuwan De Silva

2

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11 June 2020

publication date

7 February 2017

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Journal of Chemical Information and Modeling

29 June 2017

published in

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volume

57

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issue

3

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11 June 2020

page(s)

391-396

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describes a project that uses

11 June 2020

Python

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based on heuristic

inferred from title

maintained by WikiProject

WikiProject Software

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Identifiers

DOI

10.1021/ACS.JCIM.6B00654

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28169538 AND SRC:MED&resulttype=core&format=json

journals/jcisd/ZaharievSGWD17

11 June 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference