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High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement with PHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure.
Borbulevych O, Martin RI, Westerhoff LM. Borbulevych O, et al. Among authors: martin ri. Acta Crystallogr D Struct Biol. 2018 Nov 1;74(Pt 11):1063-1077. doi: 10.1107/S2059798318012913. Epub 2018 Oct 29. Acta Crystallogr D Struct Biol. 2018. PMID: 30387765 Free PMC article.
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