Seq2Topt: a sequence-based deep learning predictor of enzyme optimal temperature.

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Tác giả: Bozhen Hu, Sizhe Qiu, Weiren Xu, Aidong Yang, Jing Zhao

Ngôn ngữ: eng

Ký hiệu phân loại: 746.445 *Applique

Thông tin xuất bản: England : Briefings in bioinformatics , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 706896

An accurate deep learning predictor is needed for enzyme optimal temperature (T}_{opt}, which quantitatively describes how temperature affects the enzyme catalytic activity. In comparison with existing models, a new model developed in this study, Seq2Topt, reached a superior accuracy on T}_{opt}prediction just using protein sequences (RMSE = 12.26°C and R2 = 0.57), and could capture key protein regions for enzyme T}_{opt}with multi-head attention on residues. Through case studies on thermophilic enzyme selection and predicting enzyme T}_{opt}shifts caused by point mutations, Seq2Topt was demonstrated as a promising computational tool for enzyme mining and in-silico enzyme design. Additionally, accurate deep learning predictors of enzyme optimal pH (Seq2pHopt, RMSE = 0.88 and R2 = 0.42) and melting temperature (Seq2Tm, RMSE = 7.57 °C and R2 = 0.64) were developed based on the model architecture of Seq2Topt, suggesting that the development of Seq2Topt could potentially give rise to a useful prediction platform of enzymes.
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