Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning?

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DOI:10.1039/D1CP03934B
作者：Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li and Shuhua Li
文献类型：期刊论文
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Royal Society of Chemistry (RSC)

Abstract：We combined our generalized energy-based fragmentation (GEBF) approach and machine learning (ML) technique to construct quantum mechanics (QM) quality force fields for proteins. In our schem

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