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Updated: Aug 17, 2026

Formation of Ordered Biomolecular Structures by the Self-assembly of Short Peptides
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Formation of Ordered Biomolecular Structures by the Self-assembly of Short Peptides

Published on: November 21, 2013

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机器学习引导的自适应参数化,用于混合单原子/粗粒模型中的合术语,用于水性离子液体中的二氨酸自组装

Yang Ge1, Xueping Wang1, Qiang Zhu1

  • 1Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.

Journal of chemical theory and computation
|September 19, 2023
PubMed
概括

一种机器学习方法创建了一个混合原子和粗粒模型来预测的自我组装. 这种方法显著降低了计算成本,并准确地模拟了离子液体度如何影响甲纳米结构的形成.

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