IUCrJ (Jul 2024)

In some cases more complicated approaches to refinement of macromolecular structures are not necessary

  • Zbigniew Dauter,
  • Alexander Wlodawer

DOI
https://doi.org/10.1107/S2052252524005803
Journal volume & issue
Vol. 11, no. 4
pp. 643 – 644

Abstract

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The manuscript `Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber' presents a novel protein structure refinement method claimed to offer improvements over traditional techniques like Refmac5 and Phenix. Our re-evaluation suggests that while the new method provides improvements, traditional methods achieve comparable results with less computational effort.

Keywords