Data for Dynamic Mechanism for Subtype Selectivity of Endocannabinoids
Dataset Description |
The dataset contains unbiased molecular dynamics (MD) trajectories in XTC format for anandamide binding in cannabinoid receptors, along with the files containing corresponding parameter and topology. All simulations employed the CHARMM36m force field for proteins, while endocannabinoids were parameterized using the CGenFF force field. Unbiased simulations were performed with OpenMM v7.7. |
Subject |
Physical Sciences |
License |
CC0 |
Funder |
U.S. National Science Foundation (NSF)-Grant:MCB-1845606 |
Funder |
U.S. National Institutes of Health (NIH)-Grant:R35GM-142745 |
Corresponding Creator |
Diwakar Shukla |
Downloaded |
41 times |
| Version | DOI | Comment | Publication Date |
|---|---|---|---|
| 1 | 10.13012/B2IDB-6705697_V1 | 2026-04-08 |
Contact the Research Data Service for help interpreting this log.
| Dataset | update: {"all_globus"=>[nil, true]} | 2026-04-09T12:06:53Z |
| Dataset | update: {"all_medusa"=>[nil, true]} | 2026-04-08T22:50:08Z |