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Published October 21, 2024 | Version v1.0

Trajectories of Microsecond Simulations of the Orexin Receptor 1 System

  • 1. University of Warsaw

Description

This data set contains psf files and trajectories (.dcd files) of the performed simulations (8 systems in total) for the orexin receptor 1 system:

1) the orexin type 1 receptor (OX1R) in complex with lemborexant (nrk) or compound 1 (xgd), one replica per ligand
2) the orexin type 1 receptor (OX1R) in complex with orexin A (OxA), four replicas

Files

Files (30.4 GB)

Name Size
md5:0939e1f973ff566269b4a74b4b6c7716
8.4 GB Download
md5:1feaf84c0b6a21d3824feee7acfe4ad0
8.4 GB Download
md5:5279cefd6f5f97549acbcbc772d7f053
13.7 GB Download