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Thermodynamic Integration Using Constrained and Unconstrained Dynamics

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Free Energy Calculations

Part of the book series: Springer Series in CHEMICAL PHYSICS ((CHEMICAL,volume 86))

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Authors and Affiliations

  1. Mechanical Engineering Department, Stanford University, 94305, Stanford, California

    Eric Darve

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  1. Eric Darve
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Editors and Affiliations

  1. Equipe de Dynamique des Assemblages Membranaires UMR CNRS/UHP 7565, Universite Henri Poincare, BP 239, 54506, Vandoe uvre-l s-Nancy cedex, France

    Christophe Chipot

  2. Department of Pharmaceutical Chemistry, University of California San Francisco, 600 16th Street, CA 94143, San Francisco, USA

    Andrew Pohorille

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Darve, E. (2007). Thermodynamic Integration Using Constrained and Unconstrained Dynamics. In: Chipot, C., Pohorille, A. (eds) Free Energy Calculations. Springer Series in CHEMICAL PHYSICS, vol 86. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-38448-9_4

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