Publication | Open Access

Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design

MedicineRational Drug DesignMolecular BiologyProtein ModelingSolvent MappingMolecular GraphicProbe MoleculesMolecular RecognitionMolecular DockingBiophysicsDrug DiscoveryAutomated Clustering