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Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation
Published 2022“…</p><h3>Results</h3><p dir="ltr">The van der Waals (vdW) interaction energy of CNT–peptide and HCNT–peptide complexes decreased, reaching − 110.6 and − 176.8 kcal.Mol− 1, respectively, once encapsulation of the peptide inside the CNTs had been completed within 15 ns. …”