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June 27, 2024IUCrJ1 citationsOpen Access

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

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ZDZbigniew DauterAWAlexander Wlodawer

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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.

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Dauter et al. (2024) studied this question.

synapsesocial.com/papers/68e6301cb6db6435875c286ahttps://doi.org/10.1107/s2052252524005803
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