Below you will find pages that utilize the taxonomy term “AMP”
Binding of antimicrobial peptide indolicidin to DMPC bilayer using replica-exchange molecular dynamics.
Fitz, A. R. Klimov, D. K., & Lockhart, C. (2025) Binding of antimicrobial peptide indolicidin to DMPC bilayer using replica-exchange molecular dynamics. J. Chem. Inf. Model. (accepted)
Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics.
Bowers, S. R., Lockhart, C., & Klimov, D. K. (2024) Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics. Sci. Rep. 14: 4972, doi: 10.1038/s41598-024-55270-8
Replica exchange with hybrid tempering efficiently samples PGLa peptide binding to anionic bilayer.
Bowers, S. R., Lockhart, C., & Klimov, D. K. (2023) Replica exchange with hybrid tempering efficiently samples PGLa peptide binding to anionic bilayer. J. Chem. Theory Comput. 19(18): 6532-6550, doi: 10.1021/acs.jctc.3c00787
Mechanisms of binding of antimicrobial peptide PGLa to DMPC/DMPG membrane.
Bowers, S. R., Klimov, D. K., & Lockhart, C. (2022) Mechanisms of binding of antimicrobial peptide PGLa to DMPC/DMPG membrane. J. Chem. Inf. Model. 62(6): 1525-1537, doi: 10.1021/acs.jcim.1c01518