(Q57875128)

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Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

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Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations (English)

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Gerhard Hummer

1

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Ioannis G. Kevrekidis

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2

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English

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publication date

15 June 2003

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published in

Journal of Chemical Physics

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volume

118

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issue

23

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page(s)

10762-10773

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cites work

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SWARM-MD: Searching Conformational Space by Cooperative Molecular Dynamics

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Molecular dynamics with coupling to an external bath

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

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(Q57875128)

Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

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