About: RMSD plot along the path of MD simulations. The protein backbone plot is colored black, but the ligand plots are colored in different ways. (H) RMSDs of the A2AAR-ZINC4257548 system

3QAK

Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches

Download

Information

Details.

Scientist
Jorddy Neves
Protein
A2AAR
Ligand
ZINC4257548 system
Simulation Duration
100ns
InChIKey
N/A
SMILES
N/A
Molecular Formula
N/A
Protein Details
a key modulator of neurotransmitters, in the cardiovascular system as regulating vasodilation (3), and in the immune system as a T-cell surface immune checkpoint pro- tein
Ligand Details
involve in drug activities
Attachments