Accurate prediction of protein-ligand binding affinities (PLAs) is essential for drug discovery, repositioning, and design. Deep learning (DL) techniques have shown promise in PLA prediction
Molecular recognition is determined by the structure and dynamics of both a protein and its ligand, but it is difficult to directly assess the role of each of these players. In this study, we use Mark
Molecular recognition is determined by the structure and dynamics of both a protein and its ligand, but it is difficult to directly assess the role of each of these players. In this study, we use Mark
Crystal structure of alginate-binding protein AlgQ2 without calcium ion Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic a