(Q42945429)

English

Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter

scientific article published on July 2010

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scholarly article

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Europe PubMed Central

PubMed publication ID

11 November 2017

Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter (English)

1 reference

Europe PubMed Central

PubMed publication ID

11 November 2017

1 reference

based on heuristic

inferred from title

3

1 reference

Europe PubMed Central

PubMed publication ID

11 November 2017

author name string

Tatsuhiko Miyata

1

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Europe PubMed Central

PubMed publication ID

11 November 2017

Yasuhiro Ikuta

2

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Europe PubMed Central

PubMed publication ID

11 November 2017

language of work or name

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publication date

1 July 2010

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PubMed publication ID

11 November 2017

Journal of Chemical Physics

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11 November 2017

133

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Europe PubMed Central

PubMed publication ID

11 November 2017

4

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Europe PubMed Central

PubMed publication ID

11 November 2017

044114

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Europe PubMed Central

PubMed publication ID

11 November 2017

describes a project that uses

molecular dynamics simulation

1 reference

based on heuristic

inferred from title

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1 reference

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Cyclic polyethers and their complexes with metal salts

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

1 reference

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Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

1 reference

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Semianalytical treatment of solvation for molecular mechanics and dynamics

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Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

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Identifiers

10.1063/1.3462276

1 reference

Europe PubMed Central

PubMed publication ID

11 November 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

11 November 2017

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