Article
Protein Engineering with Lightweight Graph Denoising Neural Networks.
Journal of chemical information and modeling - 13 May 2024
Zhou Bingxin, Zheng Lirong, Wu Banghao, Tan Yang, Lv Outongyi, Yi Kai, Fan Guisheng, Hong Liang
Abstract excerpt
Protein engineering faces challenges in finding optimal mutants from a massive pool of candidate mutants. In this study, we introduce a deep-learning-based data-efficient fitness prediction tool to steer protein engineering. Our methodology establishes a lightweight graph neural network scheme for protein structures, which efficiently analyzes the microenvironment of amino acids in wild-type proteins and...
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