Efficient Quantification of Lipid Packing Defect Sensing by Amphipathic Peptides: Comparing Martini 2 and 3 with CHARMM36

[Image: see text] In biological systems, proteins can be attracted to curved or stretched regions of lipid bilayers by sensing hydrophobic defects in the lipid packing on the membrane surface. Here, we present an efficient end-state free energy calculation method to quantify such sensing in molecula...

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Detalles Bibliográficos
Autores principales: van Hilten, Niek, Stroh, Kai Steffen, Risselada, Herre Jelger
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281404/
https://www.ncbi.nlm.nih.gov/pubmed/35709386
http://dx.doi.org/10.1021/acs.jctc.2c00222

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281404/
https://www.ncbi.nlm.nih.gov/pubmed/35709386
http://dx.doi.org/10.1021/acs.jctc.2c00222

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