"The prolactin receptor scaffolds Janus kinase 2 via co-structure formation with phosphoinositide-4,5-bisphosphate" -- MD Trajectories

MD trajectories and related files for the simulations related to the work: "The prolactin receptor scaffolds Janus kinase 2 via co-structure formation with phosphoinositide-4,5-bisphosphate" by Araya-Secchi R., Bugge K. and Seiffert et al. 

This dataset contains:

1) Trajectories of CG-MD simulations of PRLR-LID1 in lipid bilayers with POPC on the upper leaflet and two compositions on the lower leaflet: POPC:POPS:PIP2 80:10:10 and 90:5:5. These simulations were performed using the open beta version of the Martini 3 (3.b3.2) force field modified to increase the strength of Protein-water interactions by 10% (m3pws10).

2) Trajectory of the all-atom simulation of the JAK2-FERM-SH2 + PRLR-LID1 complex in solution.

3) Trajectories of CG-MD simulations of the JAK2-FERM-SH2 + PRLR-LID1 complex near a POPC:POPS (70:30) bilayer (8 initial conformations) performed using the Martini2 forcefield.

4) Trajectories of CG-MD simulations of the JAK2-FERM-SH2 + PRLR-LID1 complex near a POPC:POPS:PIP2 (80:10:10) bilayer (16 initial conformations) performed using the Martini2 forcefield.