Attribution (BY): Credit must be given to the creator. Most traditional optical biosensors operate through molecular recognition, where ligand binding causes conformational changes that lead to ...

Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Műegyetem rkp. 3, H-1111Budapest, Hungary Department of Chemical and Environmental Process Engineering, ...

CCR2, a classic G protein-coupled receptor, activates a variety of downstream signaling pathways upon binding to its ligand CCL2, such as PI3K/Akt, JAK/STAT, and P38/MAPK. Activation of these pathways ...

The four top-scoring compounds with the lowest binding energies were selected and their activities were compared to those of the co-crystallized ligand. A 100 ns MDS was used to assess the binding ...