Table 1 Knowledge-based pharmacophore potential derived from the PDBbind dataset

From: A hardware demonstration of a universal programmable RRAM-based probabilistic computer for molecular docking

Ligand/Protein

HA

HD

HP

ha

0.5478

0.6686

0.2317

hd

0.6686

0.5244

0.1453

hp

0.2317

0.1453

0.0504

  1. HD hydrogen-bond donor, HA hydrogen-bond acceptor, HP hydrophobic.
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