Matches in SemOpenAlex for { <https://semopenalex.org/work/W2743526077> ?p ?o ?g. }
- W2743526077 endingPage "2363" @default.
- W2743526077 startingPage "2354" @default.
- W2743526077 abstract "A complex cell envelope, composed of a mixture of lipid types including lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins embedded within the various components of the cell envelope have an intricate relationship with their local environment. Therefore, to obtain meaningful results, molecular simulations need to mimic as far as possible this chemically heterogeneous system. However, setting up such systems for computational studies is far from trivial, and consequently the vast majority of simulations of outer membrane proteins still rely on oversimplified phospholipid membrane models. This work presents an update of CHARMM-GUI Martini Maker for coarse-grained modeling and simulation of complex bacterial membranes with lipopolysaccharides. The qualities of the outer membrane systems generated by Martini Maker are validated by simulating them in bilayer, vesicle, nanodisc, and micelle environments (with and without outer membrane proteins) using the Martini force field. We expect this new feature in Martini Maker to be a useful tool for modeling large, complicated bacterial outer membrane systems in a user-friendly manner. © 2017 Wiley Periodicals, Inc." @default.
- W2743526077 created "2017-08-17" @default.
- W2743526077 creator A5003263141 @default.
- W2743526077 creator A5017675228 @default.
- W2743526077 creator A5027924801 @default.
- W2743526077 creator A5030884127 @default.
- W2743526077 creator A5040184379 @default.
- W2743526077 creator A5062095380 @default.
- W2743526077 creator A5071236503 @default.
- W2743526077 creator A5072591686 @default.
- W2743526077 creator A5079670006 @default.
- W2743526077 creator A5091803044 @default.
- W2743526077 date "2017-08-03" @default.
- W2743526077 modified "2023-10-16" @default.
- W2743526077 title "CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides" @default.
- W2743526077 cites W1031578623 @default.
- W2743526077 cites W1548038775 @default.
- W2743526077 cites W1606713343 @default.
- W2743526077 cites W1829650984 @default.
- W2743526077 cites W1964482783 @default.
- W2743526077 cites W1978924267 @default.
- W2743526077 cites W1990771438 @default.
- W2743526077 cites W2004991443 @default.
- W2743526077 cites W2021520922 @default.
- W2743526077 cites W2029667189 @default.
- W2743526077 cites W2035207969 @default.
- W2743526077 cites W2042822773 @default.
- W2743526077 cites W2049286183 @default.
- W2743526077 cites W2050215073 @default.
- W2743526077 cites W2051864856 @default.
- W2743526077 cites W2059784037 @default.
- W2743526077 cites W2064400743 @default.
- W2743526077 cites W2064697628 @default.
- W2743526077 cites W2071413887 @default.
- W2743526077 cites W2073765675 @default.
- W2743526077 cites W2074398530 @default.
- W2743526077 cites W2075772107 @default.
- W2743526077 cites W2080654828 @default.
- W2743526077 cites W2081593223 @default.
- W2743526077 cites W2081724315 @default.
- W2743526077 cites W2087819115 @default.
- W2743526077 cites W2097775366 @default.
- W2743526077 cites W2101115404 @default.
- W2743526077 cites W2104439851 @default.
- W2743526077 cites W2105721198 @default.
- W2743526077 cites W2119267663 @default.
- W2743526077 cites W2120061656 @default.
- W2743526077 cites W2133987182 @default.
- W2743526077 cites W2140574622 @default.
- W2743526077 cites W2142532813 @default.
- W2743526077 cites W2165393184 @default.
- W2743526077 cites W2168269595 @default.
- W2743526077 cites W2170711116 @default.
- W2743526077 cites W2178132894 @default.
- W2743526077 cites W2199868862 @default.
- W2743526077 cites W2215623008 @default.
- W2743526077 cites W2230915242 @default.
- W2743526077 cites W2253624146 @default.
- W2743526077 cites W2277949932 @default.
- W2743526077 cites W2281415072 @default.
- W2743526077 cites W2327174080 @default.
- W2743526077 cites W2414669751 @default.
- W2743526077 cites W2416828046 @default.
- W2743526077 cites W2422276618 @default.
- W2743526077 cites W2428867117 @default.
- W2743526077 cites W2460255279 @default.
- W2743526077 cites W2465557450 @default.
- W2743526077 cites W2467425321 @default.
- W2743526077 cites W2480440878 @default.
- W2743526077 cites W2507723354 @default.
- W2743526077 cites W2514689639 @default.
- W2743526077 cites W2527725090 @default.
- W2743526077 cites W2533293950 @default.
- W2743526077 cites W2560881817 @default.
- W2743526077 cites W2564298127 @default.
- W2743526077 cites W2580964123 @default.
- W2743526077 cites W2582899954 @default.
- W2743526077 cites W2584836986 @default.
- W2743526077 cites W2587450560 @default.
- W2743526077 cites W2591735376 @default.
- W2743526077 cites W2601198875 @default.
- W2743526077 cites W2613860781 @default.
- W2743526077 cites W2615823793 @default.
- W2743526077 cites W4243370396 @default.
- W2743526077 doi "https://doi.org/10.1002/jcc.24895" @default.
- W2743526077 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5939954" @default.
- W2743526077 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28776689" @default.
- W2743526077 hasPublicationYear "2017" @default.
- W2743526077 type Work @default.
- W2743526077 sameAs 2743526077 @default.
- W2743526077 citedByCount "133" @default.
- W2743526077 countsByYear W27435260772017 @default.
- W2743526077 countsByYear W27435260772018 @default.
- W2743526077 countsByYear W27435260772019 @default.
- W2743526077 countsByYear W27435260772020 @default.
- W2743526077 countsByYear W27435260772021 @default.
- W2743526077 countsByYear W27435260772022 @default.
- W2743526077 countsByYear W27435260772023 @default.