Published November 1, 2022 | Version v1
Dataset Open

MD simulation of SlOPR3 with NADH at 298K and 310K

Contributors

Data curator:

Project leader:

Project member:

  • 1. ROR icon Graz University of Technology

Description

The uploaded files include the trajectory files and starting structures (GROMACS files) for the molecular dynamics (MD) simulation of the flavoenzyme 12-oxophytodienoate reductase 3 from tomato (SlOPR3) with NADH at 298K (traj_noHOH_298K.xtc and noHOH_298K.gro) and 310K (traj_00_noHOH_310K.xtc and noHOH_310K.gro). The MD simulations were performed with the MD software GROMACS. 

Files

Files (1.2 GB)

Name Size Download all
md5:3bdebe60f98a8f80bac8868cccea24b5
414.0 kB Download
md5:b7b2e1b138591eb3179d61ec13771db6
414.0 kB Download
md5:ad32c9f9273f4dfe719deeb10dc1975c
578.5 MB Download
md5:dfd54319a8ecf27820c182e5afc51d62
578.3 MB Download

Additional details

Funding

CATALOX DOC 46-B21
FWF Austrian Science Fund