(Q47935276)

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Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal "Alchemical" path, and practical solutions

scientific article published in May 2004

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Europe PubMed Central

PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

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Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal "Alchemical" path, and practical solutions (English)

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PubMed publication ID

15027110

retrieved

6 February 2018

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http://europepmc.org/abstract/MED/15027110

author name string

Arnaud Blondel

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1

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Europe PubMed Central

PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

publication date

1 May 2004

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15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

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Journal of Computational Chemistry

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PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

volume

25

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Europe PubMed Central

PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

issue

7

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Europe PubMed Central

PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

page(s)

985-993

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PubMed publication ID

15027110

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6 February 2018

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DOI

10.1002/JCC.20025

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Europe PubMed Central

PubMed publication ID

15027110

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6 February 2018

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http://europepmc.org/abstract/MED/15027110

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journals/jcc/Blondel04

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28 January 2021

PubMed publication ID

15027110

1 reference

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Europe PubMed Central

PubMed publication ID

15027110

retrieved

6 February 2018

reference URL

http://europepmc.org/abstract/MED/15027110

(Q47935276)

Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal "Alchemical" path, and practical solutions

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