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Abstract
We have proposed a multi-objective Bayesian framework for the automated design of antimicrobial peptides that considers non-proteinogenic amino acids and side-chain stapling. Furthermore, we have succeeded in designing peptides that have potent antimicrobial and low haemolytic activities within two cycles, based on a strategy that chemists do not usually consider.
Supplementary materials
Title
Supplementary Information for Design of antimicrobial peptides containing non-proteinogenic amino acids using multi-objective Bayesian optimisation
Description
Construction of surrogate models; Recommendation of promising AMP candidates; Experimental methods; LC-MS and HPLC data of the synthesised peptide data; CD spectral analysis; Notes and references
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