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Autor publikacji Mark P. Waller
2025
AQuaRef: machine learning accelerated quantum refinement of protein structures
Zubatyuk Roman, Biczysko Małgorzata, Ranasinghe Kavindri, Moriarty Nigel W., Gokcan Hatice, Kruse Holger, Poon Billy K., Adams Paul D., Waller Mark P., Roitberg Adrian E., Isayev Olexandr, Afonine Pavel V.
2023
Optimal clustering for quantum refinement of biomolecular structures: Q|R#4
Wang Yaru, Kruse Holger, Moriarty Nigel W., Waller Mark P., Afonine Pavel V., Biczysko Małgorzata
2020
Including crystallographic symmetry in quantum-based refinement: Q|R#2
Zheng Min, Biczysko Małgorzata, Xu Yanting, Moriarty Nigel W., Kruse Holger, Urzhumtsev Alexandre, Waller Mark P., Afonine Pavel V.
2020
Real-space quantum-based refinement for cryo-EM: Q|R#3
Wang Lum, Kruse Holger, Sobolev Oleg V., Moriarty Nigel W., Waller Mark P., Afonine Pavel V., Biczysko Małgorzata