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
The reliable integration of structural and bioactivity data remains a significant bottleneck in computational chemistry and cheminformatics. While curated databases such as PDBbind and ChEMBL provide
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
