MATCH: an atom-typing toolset for molecular mechanics force fields. (Q34063434)

30 July 2017

MATCH: an atom-typing toolset for molecular mechanics force fields. (English)

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30 July 2017

Joseph D Yesselman

1

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30 July 2017

Daniel J Price

series ordinal

2

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30 July 2017

Jennifer L Knight

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3

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30 July 2017

Charles L Brooks

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4

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30 July 2017

1 November 2011

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Journal of Computational Chemistry

30 July 2017

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30 July 2017

33

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30 July 2017

2

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30 July 2017

189-202

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

30 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

CHARMM: the biomolecular simulation program

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Long-timescale molecular dynamics simulations of protein structure and function.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Molecular dynamics simulations of nucleic acid-protein complexes.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Virtual screening in drug discovery -- a computational perspective

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Crystallographic refinement of ligand complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Automatic atom type and bond type perception in molecular mechanical calculations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Empirical force fields for biological macromolecules: overview and issues.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Development and testing of a general amber force field

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

Target-oriented and diversity-oriented organic synthesis in drug discovery

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3228871

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

5 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FJCC.21963

Review of ring perception algorithms for chemical graphs

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FJCC.21963

21 January 2018

Identifiers

DOI

10.1002/JCC.21963

1 reference

journals/jcc/YesselmanPKB12

30 July 2017

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DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference