De novo multi-mechanism antimicrobial peptide design via multimodal deep learning
Yue Wang,
Haifan Gong,
Xiaojuan Li
et al.
Abstract:Artificial intelligence (AI)-driven discovery of antimicrobial peptides (AMPs) is yet to fully utilise their three-dimensional (3D) structural characteristics, microbial specie-specific antimicrobial activities and mechanisms. Here, we constructed a QLAPD database comprising the sequence, structures and antimicrobial properties of 12,914 AMPs. QLAPD underlies a multimodal, multitask, multilabel, and conditionally controlled AMP discovery (M3-CAD) pipeline, which is proposed for thede novodesign of multi-mechan… Show more
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