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Article Dans Une Revue Molecular Physics Année : 2006

Calculation of the potential of mean force from molecular dynamics simulations using different methodologies: An application to the determination of the binding thermodynamic properties of an ion-pair

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hal-00137022 , version 1 (16-03-2007)

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  • HAL Id : hal-00137022 , version 1

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Aziz Ghoufi, Patrice Malfreyt. Calculation of the potential of mean force from molecular dynamics simulations using different methodologies: An application to the determination of the binding thermodynamic properties of an ion-pair. Molecular Physics, 2006, 104, pp.3787-3799. ⟨hal-00137022⟩

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