蛋白质的神经潜力超出了训练数据的范围

Geemi P Wellawatte1, Glen M Hocky2, Andrew D White3

  • 1Department of Chemistry, University of Rochester, Rochester, New York 14627, USA.

PubMed
概括

神经网络 (NN) 粗粒度 (CG) 力场可以推断到新的蛋白质区域,即使训练数据有限. 这证明了它们在更高效的分子模拟方面的潜力.

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