Efficient Quantification of Lipid Packing Defect Sensing by Amphipathic Peptides: Comparing Martini 2 and 3 with CHARMM36
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DOI: 10.1021/acs.jctc.2c00222
Abstract: 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… read more here.
Keywords: defect sensing; lipid packing; relative binding; packing defect ... See more keywords