Why do polyarginines adsorb at neutral phospholipid bilayers and polylysines do not? An insight from density functional theory calculations and molecular dynamics simulations

Author:

Tempra Carmelo1ORCID,Brkljača Zlatko2,Vazdar Mario3ORCID

Affiliation:

1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo náměstí 542/2, 16000 Prague, Czech Republic

2. Division of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia

3. Department of Mathematics, Informatics, and Cybernetics, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic

Abstract

Adsorption of cell-penetrating peptides (CPPs) at cellular membranes is the first and necessary step for their subsequent translocation across cellular membranes into the cytosol.

Funder

Hrvatska Zaklada za Znanost

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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