Design of antimicrobial peptides containing non-proteinogenic amino acids using multi-objective Bayesian optimisation

Author:

Murakami Yuki1ORCID,Ishida Shoichi1ORCID,Demizu Yosuke12ORCID,Terayama Kei134ORCID

Affiliation:

1. Graduate School of Medical Life Science, Yokohama City University, 1-7-29, Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

2. Division of Organic Chemistry, National Institute of Health Sciences, 3-25-26, Tonomachi, Kawasaki-ku, Kawasaki, Kanagawa 210-9501, Japan

3. RIKEN Center for Advanced Intelligence Project, 1-4-1, Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan

4. MDX Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa, 226-8501, Japan

Abstract

MODAN is a multi-objective Bayesian framework for automated design of antimicrobial peptides containing various non-proteinogenic amino acids and side-chain stapling.

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Society for the Promotion of Science

Japan Agency for Medical Research and Development

Publisher

Royal Society of Chemistry (RSC)

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