Optimal clustering for quantum refinement of biomolecular structures: Q|R#4
Y. Wang, H. Kruse, N. W. Moriarty, M. P. Waller, P. V. Afonine, 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.
bioRxiv · Nov 24, 2022Biochemistry