Understanding protein–ligand interactions is fundamental to molecular biology and biochemistry. These interactions are at the heart of many cellular processes, from enzyme catalysis to signal ...

Understanding protein–ligand interactions is a long-standing problem in biochemistry. The rise of deep learning-based approaches has been instrumental for predicting protein structures, but ...

Since the sequencing of the human genome, drug targets are often identified through bioinformatics or expression profiling methods that provide little insight into actual biochemical function. This ...