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Updated: Jul 4, 2025

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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一个神经网络的潜力,基于对解决的原子力和能量.

Jas Kalayan1, Ismaeel Ramzan1,2, Christopher D Williams1

  • 1Division of Pharmacy and Optometry, School of Health Sciences, University of Manchester, Manchester, UK.

Journal of computational chemistry
|January 29, 2024
PubMed
概括

机器学习潜力,PairF-Net,现在节约能量,并模拟水中的分子. 这种增强的模型准确地预测了气体和溶液阶段的小型有机分子的力量和动力学.

关键词:
形状的变化 形状的变化机器学习是机器学习.分子动力学分子动力学潜在的潜在的潜力.

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