TY  - RPRT
TI  - AQuaRef: machine learning accelerated quantum refinement of protein structures
AU  - Zubatyuk, Roman [Carnegie Mellon University, Pittsburgh, PA (United States)]
AU  - Biczysko, Malgorzata [University of Wroclaw (Poland)] (ORCID:0000000264395561)
AU  - Ranasinghe, Kavindri [University of Florida, Gainesville, FL (United States)]
AU  - Moriarty, Nigel W. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000188579464)
AU  - Gokcan, Hatice [Carnegie Mellon University, Pittsburgh, PA (United States)]
AU  - Kruse, Holger [Pending.AI, Eveleigh, NSW (Australia)]
AU  - Poon, Billy K. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Adams, Paul D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)] (ORCID:0000000193338219)
AU  - Waller, Mark P. [Pending.AI, Eveleigh, NSW (Australia)]
AU  - Roitberg, Adrian E. [University of Florida, Gainesville, FL (United States)]
AU  - Isayev, Olexandr [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000175818497)
AU  - Afonine, Pavel V. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
PY  - 2025
DO  - 10.1038/s41467-025-64313-1
UR  - https://www.osti.gov/biblio/3014354
ID  - 3014354
ER  -