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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Fourier transform convolution integrals applied to generalized Born molecular volume

Thierry Schüpbach1, Vincent Zoete, Brice Tsakam-Sotché

  • 1Molecular Modeling Group, Swiss Institute of Bioinformatics, Lausanne, Switzerland. thierry.schuepbach@isb-sib.ch

Journal of Computational Chemistry
|June 27, 2009
PubMed

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