@misc{indiciae984d8691d7ae, title = {AQuaRef: machine learning accelerated quantum refinement of protein structures}, author = {Zubatyuk, Roman [Carnegie Mellon University, Pittsburgh, PA (United States)] and Biczysko, Malgorzata [University of Wroclaw (Poland)] (ORCID:0000000264395561) and Ranasinghe, Kavindri [University of Florida, Gainesville, FL (United States)] and Moriarty, Nigel W. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000188579464) and Gokcan, Hatice [Carnegie Mellon University, Pittsburgh, PA (United States)] and Kruse, Holger [Pending.AI, Eveleigh, NSW (Australia)] and Poon, Billy K. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Adams, Paul D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)] (ORCID:0000000193338219) and Waller, Mark P. [Pending.AI, Eveleigh, NSW (Australia)] and Roitberg, Adrian E. [University of Florida, Gainesville, FL (United States)] and Isayev, Olexandr [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000175818497) and Afonine, Pavel V. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]}, year = {2025}, doi = {10.1038/s41467-025-64313-1}, url = {https://www.osti.gov/biblio/3014354}, note = {Source identifier: 3014354} }