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• W2770358889 abstract "Studying transfer of bioactive compounds across cell membranes by simulations attracts growing attention. To perform such calculations accurately, it is necessary to verify the validity of computational protocols established for description of unperturbed lipid bilayers also with translocating substances present. The current work reports the results from 1 μs long atomistic molecular dynamics simulations of two types of model plasma membranes-one built of a single phospholipid (DPPC) and one constructed of four types of phospholipids-in the presence of a drug-peptide complex experimentally known to cross cell membranes. The influence of membrane composition and of applied pressure scaling algorithm on the simulations outcome is analyzed with particular focus on membrane structure and on complex-lipid interactions during the initial penetration stage. It is found that the mixed composition of the membrane is important for correct assessment of the interactions with the complex both from purely structural perspective and because of the uneven charge distribution. The structure of the mixed lipid bilayer is affected more markedly by the pressure scaling algorithm. When the pressure is isotropically scaled, lipids are distributed almost homogeneously along the membrane in liquid ordered state. On semi-isotropic scaling, the lipid tails undergo significant rearrangement and a long-range ordered state is established. This results in freezing of the membrane and expulsion of the complex. The statistical analysis of the MD data points to the conclusion that a mixed-lipid membrane model with isotropic pressure scaling would be more suitable for describing the process of complex translocation across neoplastic membranes. © 2017 Wiley Periodicals, Inc." @default.
• W2770358889 created "2017-12-04" @default.
• W2770358889 creator A5008720068 @default.
• W2770358889 creator A5051759674 @default.
• W2770358889 date "2017-11-21" @default.
• W2770358889 modified "2023-09-29" @default.
• W2770358889 title "Testing the limits of model membrane simulations-bilayer composition and pressure scaling" @default.
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• W2770358889 cites W1566113502 @default.
• W2770358889 cites W1605166042 @default.
• W2770358889 cites W1797449848 @default.
• W2770358889 cites W1901625798 @default.
• W2770358889 cites W1965311589 @default.
• W2770358889 cites W1972286416 @default.
• W2770358889 cites W1973272679 @default.
• W2770358889 cites W1976499671 @default.
• W2770358889 cites W1981303221 @default.
• W2770358889 cites W1981984118 @default.
• W2770358889 cites W1983501873 @default.
• W2770358889 cites W1983600681 @default.
• W2770358889 cites W1984434728 @default.
• W2770358889 cites W1989233353 @default.
• W2770358889 cites W1992095148 @default.
• W2770358889 cites W1998335738 @default.
• W2770358889 cites W1999521225 @default.
• W2770358889 cites W2001537957 @default.
• W2770358889 cites W2006506188 @default.
• W2770358889 cites W2006912550 @default.
• W2770358889 cites W2022714443 @default.
• W2770358889 cites W2024134244 @default.
• W2770358889 cites W2024993418 @default.
• W2770358889 cites W2025351309 @default.
• W2770358889 cites W2029667189 @default.
• W2770358889 cites W2029697829 @default.
• W2770358889 cites W2031213376 @default.
• W2770358889 cites W2031249396 @default.
• W2770358889 cites W2031423631 @default.
• W2770358889 cites W2035266068 @default.
• W2770358889 cites W2035687084 @default.
• W2770358889 cites W2036473446 @default.
• W2770358889 cites W2040442369 @default.
• W2770358889 cites W2045381262 @default.
• W2770358889 cites W2048160429 @default.
• W2770358889 cites W2048879085 @default.
• W2770358889 cites W2057477511 @default.
• W2770358889 cites W2057653477 @default.
• W2770358889 cites W2059571424 @default.
• W2770358889 cites W2062476751 @default.
• W2770358889 cites W2064601385 @default.
• W2770358889 cites W2066271258 @default.
• W2770358889 cites W2066414494 @default.
• W2770358889 cites W2067200099 @default.
• W2770358889 cites W2069553155 @default.
• W2770358889 cites W2069773823 @default.
• W2770358889 cites W2071581047 @default.
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• W2770358889 cites W2076154417 @default.
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• W2770358889 cites W2086932069 @default.
• W2770358889 cites W2091291019 @default.
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• W2770358889 cites W2091660301 @default.
• W2770358889 cites W2094305926 @default.
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• W2770358889 cites W2122469191 @default.
• W2770358889 cites W2125450037 @default.
• W2770358889 cites W2125780186 @default.
• W2770358889 cites W2136890404 @default.
• W2770358889 cites W2137365831 @default.
• W2770358889 cites W2138893502 @default.
• W2770358889 cites W2150104848 @default.
• W2770358889 cites W2156835500 @default.
• W2770358889 cites W2160679445 @default.
• W2770358889 cites W2164730735 @default.
• W2770358889 cites W2168269595 @default.
• W2770358889 cites W2186595494 @default.
• W2770358889 cites W2317597468 @default.
• W2770358889 cites W2331202475 @default.
• W2770358889 cites W2514196754 @default.
• W2770358889 cites W2563839424 @default.
• W2770358889 cites W3104531408 @default.
• W2770358889 cites W4210673819 @default.
• W2770358889 cites W4245676270 @default.
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• W2770358889 doi "https://doi.org/10.1002/jcc.25117" @default.
• W2770358889 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29164634" @default.
• W2770358889 hasPublicationYear "2017" @default.
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