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

Zbigniew DauterAlexander Wlodawer
Published in: IUCrJ (2024)
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.
Keyphrases
  • single cell
  • high throughput
  • cell therapy
  • high resolution
  • minimally invasive
  • protein protein
  • binding protein
  • small molecule