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.
Unbiased in silico design of pH-sensitive tetrapeptides
Federica Rigoldi;Alfonso Gautieri;
2023-01-01
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.File in questo prodotto:
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