NCI-Profiler: automated protein-ligand interaction detection and visualization
Non-covalent interactions govern ligand binding specificity and affinity, but existing analysis tools cover a limited set of interaction types, treat metal coordination as a generic contact, and struggle to depict macrocyclic ligands such as heme or cobalamin, leaving comprehensive interaction analysis fragmented across multiple programs. We developed Non-Covalent Interaction Profiler…
We haven't written up this one. bioRxiv has the full story — the link below goes straight to it.
