Published November 14, 2024 | Version v1

Data For: Structure and dynamics of cannabinoid binding to the GABAA receptor

  • 1. ROR icon Universidad de Buenos Aires

Description

Amber topology (.parm7) and initial coordinates (.rst7) files of GABAAR simulated systems.

 

System

GABAAR

Domain

Cannabinoid

A

α1β2γ2 (heteropentamer)

ECD/TMD

-

B

α1β2γ2 (heteropentamer)

ECD/TMD

THC

D

α1 (monomer)

TMD

THC

D

α1 (monomer)

TMD

CBD

D

α1 (monomer)

TMD

CBG

 

Files

Files (138.2 MB)

Name Size
md5:5ec580e3aa570803e2b9d47815b0689f
47.4 MB Download
md5:f3a4884ed1f99c1e05fc04d4abd19153
6.4 MB Download
md5:ce4bb6f4d4330ae3cb8044c21d7bbc8a
47.5 MB Download
md5:7615932f716df8507f9dd9f1899d5d8c
6.4 MB Download
md5:e06b95bb2b1528405996b876d59c7ec2
9.1 MB Download
md5:d1d91c9c22117009f0be74254d53b886
1.1 MB Download
md5:ed40a49aefb7b1c3402c9f1554db0118
9.1 MB Download
md5:d2c6205a9c8e3211ab7493b40c0e81df
1.1 MB Download
md5:ba0b02672c2288c0c849dea3d25687f5
9.1 MB Download
md5:bfd711968d235d2eaed03463a4a6832a
1.1 MB Download