Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, Nigel W. Moriarty, Hatice Gokcan, Holger Kruse, Billy K. Poon, Paul D. Adams, Mark P. Waller, Adrian E. Roitberg, Olexandr Isayev, Pavel V. Afonine. "AQuaRef: machine learning accelerated quantum refinement of protein structures." Nature Communications (2025). https://doi.org/10.1038/s41467-025-64313-1