Continuous Validation Across Macromolecular Structure Determination Process.

Nihon Kessho Gakkai shi Pub Date : 2023-02-28 Epub Date: 2023-03-08 DOI:10.5940/jcrsj.65.10
Vanessa Bijak, Michal Gucwa, Joanna Lenkiewicz, Krzysztof Murzyn, David R Cooper, Wladek Minor
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Abstract

The overall quality of the experimentally determined structures contained in the PDB is exceptionally high, mainly due to the continuous improvement of model building and structural validation programs. Improving reproducibility on a large scale requires expanding the concept of validation in structural biology and all other disciplines to include a broader framework that encompasses the entire project. A successful approach to science requires diligent attention to detail and a focus on the future. An earnest commitment to data availability and reuse is essential for scientific progress, be that by human minds or artificial intelligence.

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大分子结构确定过程中的持续验证。
PDB 所包含的实验测定结构的整体质量非常高,这主要归功于模型构建和结构验证计划的不断改进。要大规模提高可重复性,就必须扩展结构生物学和所有其他学科的验证概念,使之包括一个涵盖整个项目的更广泛框架。成功的科学方法需要对细节孜孜以求,并着眼于未来。无论是人脑还是人工智能,对数据可用性和再利用的认真承诺对于科学进步都至关重要。
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