Resource-Efficient Bio-Molecular Docking on a NISQ-era Digital Quantum Computer

Molecular docking is a vital computational task in drug discovery, wherein the objective is to efficiently identify optimal binding poses between a ligand and a target receptor protein.

Molecular docking is a vital computational task in drug discovery, wherein the objective is to efficiently identify optimal binding poses between a ligand and a target receptor protein. Due to the combinatorial explosion of possible binding configurations, docking of large and…