Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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Hydrogen Bonds and Life in the Universe.Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds.Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation.

P2860

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P2860

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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http://www.wikidata.org/entity/Q50193792

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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label

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

@en

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

@en

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

@nl

P1476

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine

@en

P2093

Ali Hassanali

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

Prasenjit Ghosh

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

Ralph Gebauer

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

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

The Amber biomolecular simulation programs

Anti-human immunodeficiency virus effects of cationic metalloporphyrin-ellipticine complexes

Rationale for mixing exact exchange with density functional approximations

Development and testing of a general amber force field

Canonical sampling through velocity rescaling

Data of pre-clinical and early clinical trials of acriflavine and hydroxy-methyl-ellipticine reviewed, enriched by the experience of their use for 18 months to 6 years in combinations with other HIV1 virostatics.

Microspectrofluorometry of the protonation state of ellipticine, an antitumor alkaloid, in single cells

P304

205102

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scholarly article

P356

10.1063/1.4968046

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English

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

P478

145

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P50

Subrahmanyam Sappati

P577

2016-11-01T00:00:00Z

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27908111

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Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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P2860

P2860

Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.

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P1433

P1476

P2093

P2860

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P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698