https://ror.org/040gcmg81 Center for Structural Biology
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摘要
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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关键词
protein structure refinement,Amber,molecular dynamics,maximum-likelihood