Dataset Restricted Access

Dataset (II) 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.4563896; 10.5281/zenodo.4568113; 10.5281/zenodo.4561797)

  • Individual .zip files contain raw-desmond trajectories (-out.cms files and trj-files).
  • .pdb -files contain PDB-coordinates for the energy minimized metastable state derived structures

 

Restricted Access

You may request access to the files in this upload, provided that you fulfil the conditions below. The decision whether to grant/deny access is solely under the responsibility of the record owner.


Data will be made openly available upon publication.


4
0
views
downloads
All versions This version
Views 44
Downloads 00
Data volume 0 Bytes0 Bytes
Unique views 44
Unique downloads 00

Share

Cite as