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Calculation of free energy landscapes: a histogram reweighted metadynamics approach

Jens Smiatek1, Andreas Heuer

  • 1Institut für Physikalische Chemie, Westfälische Wilhelms-Universität Münster, D-48149 Münster, Germany. jens.smiatek@uni-muenster.de.

Journal of Computational Chemistry
|April 19, 2011
PubMed

Keywords:
free energy landscapegrid calculationsmetadynamicsmolecular dynamicsreweighting

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