Indolicidin Binding Induces Thinning of a Lipid Bilayer

Indolicidin Binding Induces Thinning of a Lipid Bilayer. Neale, C., Hsu, J., C., Yip, C., M., & Pomès, R. Biophysical Journal, 106(8):L29-L31, 4, 2014.

Paper

Indolicidin Binding Induces Thinning of a Lipid Bilayer [link]

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We use all-atom molecular dynamics simulations on a massive scale to compute the standard binding free energy of the 13-residue antimicrobial peptide indolicidin to a lipid bilayer. The analysis of statistical convergence reveals systematic sampling errors that correlate with reorganization of the bilayer on the microsecond timescale and persist throughout a total of 1.4 ms of sampling. Consistent with experimental observations, indolicidin induces membrane thinning, although the simulations significantly overestimate the lipophilicity of the peptide.

@article{
 title = {Indolicidin Binding Induces Thinning of a Lipid Bilayer},
 type = {article},
 year = {2014},
 pages = {L29-L31},
 volume = {106},
 websites = {http://linkinghub.elsevier.com/retrieve/pii/S0006349514002756},
 month = {4},
 id = {30091776-c604-37a9-98ee-78200f1ea353},
 created = {2014-04-15T19:01:47.000Z},
 accessed = {2014-04-15},
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 last_modified = {2017-03-28T17:10:06.277Z},
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 abstract = {We use all-atom molecular dynamics simulations on a massive scale to compute the standard binding free energy of the 13-residue antimicrobial peptide indolicidin to a lipid bilayer. The analysis of statistical convergence reveals systematic sampling errors that correlate with reorganization of the bilayer on the microsecond timescale and persist throughout a total of 1.4 ms of sampling. Consistent with experimental observations, indolicidin induces membrane thinning, although the simulations significantly overestimate the lipophilicity of the peptide.},
 bibtype = {article},
 author = {Neale, Chris and Hsu, Jenny C.Y. and Yip, Christopher M. and Pomès, Régis},
 doi = {10.1016/j.bpj.2014.02.031},
 journal = {Biophysical Journal},
 number = {8}
}

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