Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino Acids.

• Tác giả: Nomindari Bayaraa, Minh Ngoc Ho, Tiffani Hui, Yu-Shan Lin, Maxim Secor
• Ngôn ngữ: eng
• Ký hiệu phân loại: 006.31 Machine learning
• Thông tin xuất bản: United States : Journal of chemical information and modeling , 2025
• Bộ sưu tập: NCBI
• ID: 642326

Tóm tắt

Machine learning (ML) models have become increasingly popular for predicting and designing structures and properties of peptides and proteins. These ML models typically use peptides and proteins containing only canonical amino acids as the training data. Consequently, these models struggle to make accurate predictions for peptides and proteins containing new amino acids that are absent in the training data set (