BiochemistrybioRxiv
Optimal clustering for quantum refinement of biomolecular structures: Q|R#4
Y. Wang, H. Kruse, N. W. Moriarty…·M. Biczysko
This paper validates and optimizes a divide-and-conquer procedure for quantum refinement of biomolecular structures, introducing an error score to guide computational efficiency.
DOI 10.1007/s00214-023-03046-0