XModeScore: a novel method for accurate protonation/tautomer‐state determination using quantum‐mechanically driven macromolecular X‐ray crystallographic refinement

Publisher： John Wiley & Sons Inc

E-ISSN： 2059-7983|72|4|586-598

ISSN： 2059-7983

Source： Acta Crystallographica Section D, Vol.72, Iss.4, 2016-04, pp. : 586-598

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