zenodoopen

Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism

<p>Dataset of the paper "Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism" accepted for publication on ACS Chem journal.</p>

ShareScore

48/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship: 12
Harmonization: 8
Access: 16
Reuse readiness: 0
Engagement: 12

Topics

molecular dynamics metadynamics free-energy calculations path collective variables G protein-coupled receptor Adenosine A2A receptor