Hydrophobicity surface representation of the best docking pose with D-GlcNAc for a) 6M0J, b) 6WKP, d) 7JVZ and ribbon representation for of the best docking pose with D-GlcNAc for c) 6X79. Red circles
Quorum sensing (QS) regulates bacterial functions like virulence and biofilm formation, mediated by proteins such as LasI and QscR in Pseudomonas aeruginosa. This study investigates the structural dyn
We present a simple, modular graph-based convolutional neural network that takes structural information from protein–ligand complexes as input to generate models for activity and binding mode predicti
