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Dataset (I) related to publication: Decisive Role of Water and Protein Dynamics in Residence Time of p38a MAP Kinase Inhibitors

Pantsar, Tatu; Laufer, Stefan

MD simulation data of Cmpd 1 related to the publication Pantsar et al.: Decisive Role of Water and Protein Dynamics in Residence Time of p38a MAP Kinase Inhibitors.

(Other datasets related to this publication: 10.5281/zenodo.4572444; 10.5281/zenodo.4563896; 10.5281/zenodo.4561797)

  • Individual .zip files contain raw-desmond trajectories (-out.cms files and trj-files).

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Data will be made openly available upon publication.


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