Unbiased in silico design of pH-sensitive tetrapeptides

Author(s)
Hu, Yue; Rigoldi, Federica; Sun, Hui; Gautieri, Alfonso; Marelli, Benedetto
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Abstract
We used coarse-grain molecular dynamics simulations to screen all possible histidine-bearing tetrapeptide sequences, finding novel peptide sequences with pH-tunable assembly properties. These tetrapeptides could be used for various biological applications, such as triggered delivery of bioactive molecules.
Date issued
2023
URI
https://hdl.handle.net/1721.1/154133
Department
Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Journal
ChemComm
Publisher
Royal Society of Chemistry
Citation
Hu, Yue, Rigoldi, Federica, Sun, Hui, Gautieri, Alfonso and Marelli, Benedetto. 2023. "Unbiased in silico design of pH-sensitive tetrapeptides." ChemComm, 59 (67).
Version: Final published version
ISSN
1359-7345
1364-548X
Keywords
Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composites, Electronic, Optical and Magnetic Materials, Catalysis
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