(Q57814837)

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Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

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Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD) (English)

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Volkhard Helms

2

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Markus A. Lill

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1

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English

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publication date

November 2001

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published in

Journal of Chemical Physics

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volume

115

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issue

17

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page(s)

7993-8005

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cites work

The nature of the hydrated excess proton in water

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Quantum-dynamical picture of a multistep enzymatic process: reaction catalyzed by phospholipase A(2).

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

The formation and dynamics of proton wires in channel environments

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Compact parameter set for fast estimation of proton transfer rates

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stated in

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Reaction rates for proton transfer over small barriers and connection to transition state theory

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Multicopy molecular dynamics simulations suggest how to reconcile crystallographic and product formation data for camphor enantiomers bound to cytochrome P-450cam.

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https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Molecular dynamics with coupling to an external bath

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

The Grotthuss mechanism

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

Computer simulations do not support Cl-Cl pairing in aqueous NaCl solution

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stated in

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

On the Quantum Nature of the Shared Proton in Hydrogen Bonds

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stated in

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reference URL

https://api.crossref.org/works/10.1063%2F1.1407293

retrieved

21 January 2018

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10.1063/1.1407293

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(Q57814837)

Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

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