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

  1. Author:
    Dauter, Zbigniew [ORCID]
    Wlodawer,Alexander [ORCID]
  2. Author Address

    Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, Maryland, USA.,
    1. Year: 2024
    2. Date: Jul 01
    3. Epub Date: 2024 07 01
  1. Journal: IUCrJ
    1. 11
    2. Pt 4
    3. Pages: 643-644
  2. Type of Article: Article
  1. Abstract:

    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. open access.

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External Sources

  1. DOI: 10.1107/S2052252524005803
  2. PMID: 38958017
  3. PMCID: PMC11220886
  4. PII : S2052252524005803

Library Notes

  1. Fiscal Year: FY2023-2024
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