Including Crystallographic Symmetry in Quantum-based Refinement: Q|R#2
Min Zheng, Małgorzata Biczysko, Yanting Xu, Nigel W. Moriarty, Holger Kruse, Alexandre Urzhumtsev, Mark P. Waller, Pavel V. Afonine
The paper refines a protein structure using quantum chemistry restraints, incorporating crystallographic symmetry effects through a fragmentation approach.
Acta Crystallographica Section D Structural Biology · Dec 20, 2019Peer-reviewedBioinformatics