Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

Moriarty, N.W.; Janowski, P.A.; Swails, J.M.; Nguyen, H.; Richardson, J.S.; Case, D.A.; Adams, P.D.

doi:10.1107/S2059798319015134

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 2
R factors of optimized weight refinements and R_free − R_work (R_Δ) versus resolution (values averaged in each resolution bin). Vertical axes are in % with the R_Δ axis on the left. E&H/CDL values are plotted in dark blue and those for Amber in burnt orange.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 76| Part 1| January 2020| Pages 51-62

https://doi.org/10.1107/S2059798319015134

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