Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION Authors: Ahme
CRYSTAL STRUCTURE OF THE GLUR6 LIGAND BINDING CORE IN COMPLEX WITH KAINATE 1.93 A RESOLUTION Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, ionotropic kainate 2 Authors: Mayer
This dataset is for the manuscript \"A multiscale predictive digital twin for neurocardiac modulation\". We utilized all-atom molecular dynamics (MD) simulations to predict the affinities as well as a
Crystal structure of the orphan nuclear receptor RORgamma ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8) Descriptor: (3beta,4alpha,5beta,14beta)-3-hydroxy-4-meth