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@article{1168435, author = {Vácha, Robert and Frenkel, D.}, article_location = {Washington D.C.}, article_number = {5}, doi = {http://dx.doi.org/10.1021/la402727a}, keywords = {MOLECULAR-DYNAMICS SIMULATIONS; ANTIMICROBIAL PEPTIDES; STATE NMR; BILAYER-MEMBRANES; LIPID-BILAYERS; AMYLOID PORES; ION CHANNELS; FORCE-FIELD; MODEL; DISEASE}, language = {eng}, issn = {0743-7463}, journal = {Langmuir}, title = {Simulations Suggest Possible Novel Membrane Pore Structure}, url = {http://pubs.acs.org/doi/abs/10.1021/la402727a}, volume = {30}, year = {2014} }
TY - JOUR ID - 1168435 AU - Vácha, Robert - Frenkel, D. PY - 2014 TI - Simulations Suggest Possible Novel Membrane Pore Structure JF - Langmuir VL - 30 IS - 5 SP - 1304-1310 EP - 1304-1310 PB - Amer Chemical Soc SN - 07437463 KW - MOLECULAR-DYNAMICS SIMULATIONS KW - ANTIMICROBIAL PEPTIDES KW - STATE NMR KW - BILAYER-MEMBRANES KW - LIPID-BILAYERS KW - AMYLOID PORES KW - ION CHANNELS KW - FORCE-FIELD KW - MODEL KW - DISEASE UR - http://pubs.acs.org/doi/abs/10.1021/la402727a L2 - http://pubs.acs.org/doi/abs/10.1021/la402727a N2 - Amphiphilic proteins and peptides can induce the formation of stable and metastable pores in membranes. Using coarse-grained simulations, we have studied the factors that affect structure of peptide-stabilized pores. Our simulations are able to reproduce the formation of the well-known barrel-stave or toroidal pores, but in addition, we find evidence for a novel "double-belt" pore structure: in this structure the peptides that coat the membrane pore are oriented parallel to the membrane plane. To check the predictions of our coarse-grained model, we have performed more detailed simulations, using the MARTINI force field. These simulations show that the double-belt structure is stable up to at least the microsecond time scale. ER -
VÁCHA, Robert a D. FRENKEL. Simulations Suggest Possible Novel Membrane Pore Structure. \textit{Langmuir}. Washington D.C.: Amer Chemical Soc, 2014, roč.~30, č.~5, s.~1304-1310. ISSN~0743-7463. Dostupné z: https://dx.doi.org/10.1021/la402727a.
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