ForceGen: atomic covalent bond value derivation for Gromacs.

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Carcinogenic Pesticide Control Hijacking Endosymbiosis; The Paradigm of DSB-A from for the Management of

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Q58765986-1810525B-0A10-4998-B67C-03BBC74F8235

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ForceGen: atomic covalent bond value derivation for Gromacs.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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ForceGen: atomic covalent bond value derivation for Gromacs.

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ForceGen: atomic covalent bond value derivation for Gromacs.

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ForceGen: atomic covalent bond value derivation for Gromacs.

@en

ForceGen: atomic covalent bond value derivation for Gromacs.

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ForceGen: atomic covalent bond value derivation for Gromacs.

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ForceGen: atomic covalent bond value derivation for Gromacs.

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P1476

ForceGen: atomic covalent bond value derivation for Gromacs.

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P2093

Helen L Birch

http://www.w3.org/2001/XMLSchema#string

Nora H de Leeuw

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P2860

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Assessment of the "6-31+G** + LANL2DZ" mixed basis set coupled with density functional theory methods and the effective core potential: prediction of heats of formation and ionization potentials for first-row-transition-metal complexes

Rapid parameterization of small molecules using the Force Field Toolkit.

Mapping intermolecular interactions and active site conformations: from human MMP-1 crystal structure to molecular dynamics free energy calculations.

Bond order analysis based on the Laplacian of electron density in fuzzy overlap space.

Multiwfn: a multifunctional wavefunction analyzer.

P2888

s00894-017-3530-6

P304

http://www.w3.org/2001/XMLSchema#string

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scholarly article

P356

10.1007/S00894-017-3530-6

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Anthony Nash

Thomas Collier

P577

2017-12-06T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

29214361

http://www.w3.org/2001/XMLSchema#string

P921

GROMACS

P932

5719132

http://www.w3.org/2001/XMLSchema#string

ForceGen: atomic covalent bond value derivation for Gromacs.

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P2860

P2860

ForceGen: atomic covalent bond value derivation for Gromacs.

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name

type

label

prefLabel

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P433

P478

P50

P577

P698

P921

P932

P356

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P433

P478

P50

P577

P698

P921

P932