PDF(Pubmed)
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.
摘要：
手稿“单位细胞建模：使用生物分子MD模拟平台Amber的晶体学细化程序”提出了一种新颖的蛋白质结构细化方法，声称可以对Refmac5和Phenix等传统技术进行改进。我们的重新评估表明，虽然新方法提供了改进，传统方法以更少的计算量获得可比的结果。
