FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2904455146> ?p ?o ?g. }

• W2904455146 endingPage "244" @default.
• W2904455146 startingPage "236" @default.
• W2904455146 abstract "A simple descriptor calculated from molecular dynamics simulations of the membrane partitioning event is found to correlate well with experimental measurements of passive membrane permeation from the high-throughput MDCK-LE assay using a data set of 49 drug-like molecules. This descriptor approximates the energy cost of translocation across the hydrophobic membrane core (flip-flop), which for many molecules limits permeability. Performance is found to be superior in comparison to calculated properties such as clogP, clogD, or polar surface area. Furthermore, the atomistic simulations provide a structural understanding of the partitioned drug–membrane complex, facilitating medicinal chemistry optimization of membrane permeability." @default.
• W2904455146 created "2018-12-22" @default.
• W2904455146 creator A5001778051 @default.
• W2904455146 creator A5005125986 @default.
• W2904455146 creator A5069016592 @default.
• W2904455146 creator A5069597157 @default.
• W2904455146 date "2018-12-12" @default.
• W2904455146 modified "2023-09-25" @default.
• W2904455146 title "Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules" @default.
• W2904455146 cites W1564885879 @default.
• W2904455146 cites W1911338432 @default.
• W2904455146 cites W1917632116 @default.
• W2904455146 cites W1974373394 @default.
• W2904455146 cites W1976499671 @default.
• W2904455146 cites W1988137261 @default.
• W2904455146 cites W1992000457 @default.
• W2904455146 cites W2004822259 @default.
• W2904455146 cites W2007070530 @default.
• W2904455146 cites W2023750903 @default.
• W2904455146 cites W2025977038 @default.
• W2904455146 cites W2035266068 @default.
• W2904455146 cites W2036547515 @default.
• W2904455146 cites W2037535298 @default.
• W2904455146 cites W2045093121 @default.
• W2904455146 cites W2050485933 @default.
• W2904455146 cites W2052008210 @default.
• W2904455146 cites W2066900663 @default.
• W2904455146 cites W2067174909 @default.
• W2904455146 cites W2072683434 @default.
• W2904455146 cites W2080946353 @default.
• W2904455146 cites W2083164919 @default.
• W2904455146 cites W2084323023 @default.
• W2904455146 cites W2106140689 @default.
• W2904455146 cites W2114239896 @default.
• W2904455146 cites W2118120345 @default.
• W2904455146 cites W2128056712 @default.
• W2904455146 cites W2132795750 @default.
• W2904455146 cites W2142528678 @default.
• W2904455146 cites W2144288821 @default.
• W2904455146 cites W2145038392 @default.
• W2904455146 cites W2149385441 @default.
• W2904455146 cites W2152374518 @default.
• W2904455146 cites W2164405854 @default.
• W2904455146 cites W2266854443 @default.
• W2904455146 cites W2293873067 @default.
• W2904455146 cites W2313116527 @default.
• W2904455146 cites W2315776829 @default.
• W2904455146 cites W2323104785 @default.
• W2904455146 cites W2329732701 @default.
• W2904455146 cites W2332712348 @default.
• W2904455146 cites W2339460745 @default.
• W2904455146 cites W2564974142 @default.
• W2904455146 cites W2609522315 @default.
• W2904455146 cites W2783923385 @default.
• W2904455146 cites W2886628289 @default.
• W2904455146 cites W4248107770 @default.
• W2904455146 doi "https://doi.org/10.1021/acs.jcim.8b00744" @default.
• W2904455146 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30540467" @default.
• W2904455146 hasPublicationYear "2018" @default.
• W2904455146 type Work @default.
• W2904455146 sameAs 2904455146 @default.
• W2904455146 citedByCount "25" @default.
• W2904455146 countsByYear W29044551462019 @default.
• W2904455146 countsByYear W29044551462020 @default.
• W2904455146 countsByYear W29044551462021 @default.
• W2904455146 countsByYear W29044551462022 @default.
• W2904455146 countsByYear W29044551462023 @default.
• W2904455146 crossrefType "journal-article" @default.
• W2904455146 hasAuthorship W2904455146A5001778051 @default.
• W2904455146 hasAuthorship W2904455146A5005125986 @default.
• W2904455146 hasAuthorship W2904455146A5069016592 @default.
• W2904455146 hasAuthorship W2904455146A5069597157 @default.
• W2904455146 hasConcept C120882062 @default.
• W2904455146 hasConcept C121332964 @default.
• W2904455146 hasConcept C12554922 @default.
• W2904455146 hasConcept C1276947 @default.
• W2904455146 hasConcept C147597530 @default.
• W2904455146 hasConcept C159467904 @default.
• W2904455146 hasConcept C178790620 @default.
• W2904455146 hasConcept C185592680 @default.
• W2904455146 hasConcept C186060115 @default.
• W2904455146 hasConcept C207464780 @default.
• W2904455146 hasConcept C29705727 @default.
• W2904455146 hasConcept C2992270614 @default.
• W2904455146 hasConcept C32909587 @default.
• W2904455146 hasConcept C41625074 @default.
• W2904455146 hasConcept C50670333 @default.
• W2904455146 hasConcept C55493867 @default.
• W2904455146 hasConcept C59593255 @default.
• W2904455146 hasConcept C86803240 @default.
• W2904455146 hasConceptScore W2904455146C120882062 @default.
• W2904455146 hasConceptScore W2904455146C121332964 @default.
• W2904455146 hasConceptScore W2904455146C12554922 @default.
• W2904455146 hasConceptScore W2904455146C1276947 @default.
• W2904455146 hasConceptScore W2904455146C147597530 @default.
• W2904455146 hasConceptScore W2904455146C159467904 @default.
• W2904455146 hasConceptScore W2904455146C178790620 @default.
• W2904455146 hasConceptScore W2904455146C185592680 @default.

• next