(Q37151359)

English

Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization

scientific article published on January 2008

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scholarly article

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Europe PubMed Central

PMC publication ID

18 August 2017

Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization (English)

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

3

object named as

Darrin York

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

object named as

Haibo Yu

2

0 references

4

object named as

Marcus Elstner

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

5

object named as

Qiang Cui

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

author name string

Yang Yang

1

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

publication date

1 January 2008

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Europe PubMed Central

PMC publication ID

18 August 2017

Journal of Chemical Theory and Computation

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Europe PubMed Central

PMC publication ID

18 August 2017

4

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

12

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

2067-2084

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

Extensive conformational transitions are required to turn on ATP hydrolysis in myosin.

1 reference

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1 reference

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Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM framework

1 reference

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Looking at self-consistent-charge density functional tight binding from a semiempirical perspective.

1 reference

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Quantum mechanics simulation of protein dynamics on long timescale.

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Generalized Gradient Approximation Made Simple

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Why nature chose phosphates

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1 reference

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Identifiers

10.1021/CT800330D

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

ResearchGate publication ID

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