Published June 30, 2023
| Version v1
Dataset
Open
Dataset for Multiscale in silico study of mechanism of activation of RtcB ligase by PTP1B phosphatase.
Authors/Creators
- 1. University of Gothenburg
Description
The pdb structures of the RtcB_PTP1B complex after protein-protein docking and after 1000ns MD simulation, 1000ns MD trajectory, and a video captured from the QM/MM WT-MetaD simulation trajectory showing the reaction mechanism