Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979446670> ?p ?o ?g. }
- W1979446670 endingPage "24246" @default.
- W1979446670 startingPage "24238" @default.
- W1979446670 abstract "The adsorption of the four DNA bases (adenine, guanine, thymine, and cytosine) on a mineral surface (titanium dioxide) is studied through classical molecular dynamics simulations and potential of mean constrained force calculations to give a reliable description of their binding behavior, identify the best binding arrangement, and quantify the strength of their interactions with the inorganic surface. Several configurations are identified, and the analysis of the data has revealed that the general tendency is to adsorb on structured solvent layers, which are in direct contact with the substrate. In this region, the molecules are perpendicular to the slab most of the time, do not adopt a preferential orientation, and explore different areas of the interposing water layers. Frequent escape into the bulk solvent is observed, suggesting that the interactions between the bases and the solvent layers are not strong enough to keep the molecule close to the surface." @default.
- W1979446670 created "2016-06-24" @default.
- W1979446670 creator A5053769720 @default.
- W1979446670 creator A5067355470 @default.
- W1979446670 date "2011-11-15" @default.
- W1979446670 modified "2023-10-10" @default.
- W1979446670 title "Molecular Dynamics Simulations of the Adsorption and Dynamical Behavior of Single DNA Components on TiO<sub>2</sub>" @default.
- W1979446670 cites W1522345528 @default.
- W1979446670 cites W1600335465 @default.
- W1979446670 cites W1847307531 @default.
- W1979446670 cites W1963934407 @default.
- W1979446670 cites W1966078827 @default.
- W1979446670 cites W1974648751 @default.
- W1979446670 cites W1976499671 @default.
- W1979446670 cites W1976806468 @default.
- W1979446670 cites W1984745685 @default.
- W1979446670 cites W1988316454 @default.
- W1979446670 cites W1991794210 @default.
- W1979446670 cites W1997217757 @default.
- W1979446670 cites W1998406333 @default.
- W1979446670 cites W2005753585 @default.
- W1979446670 cites W2015438726 @default.
- W1979446670 cites W2015795653 @default.
- W1979446670 cites W2017019577 @default.
- W1979446670 cites W2018484433 @default.
- W1979446670 cites W2019817653 @default.
- W1979446670 cites W2023320232 @default.
- W1979446670 cites W2025347444 @default.
- W1979446670 cites W2027600997 @default.
- W1979446670 cites W2028702957 @default.
- W1979446670 cites W2029258810 @default.
- W1979446670 cites W2035687084 @default.
- W1979446670 cites W2041638382 @default.
- W1979446670 cites W2056266274 @default.
- W1979446670 cites W2057375772 @default.
- W1979446670 cites W2058993100 @default.
- W1979446670 cites W2059553991 @default.
- W1979446670 cites W2059778438 @default.
- W1979446670 cites W2060037638 @default.
- W1979446670 cites W2060051808 @default.
- W1979446670 cites W2060083123 @default.
- W1979446670 cites W2064791705 @default.
- W1979446670 cites W2065197968 @default.
- W1979446670 cites W2067174909 @default.
- W1979446670 cites W2068264563 @default.
- W1979446670 cites W2074955506 @default.
- W1979446670 cites W2076825370 @default.
- W1979446670 cites W2077358620 @default.
- W1979446670 cites W2082815636 @default.
- W1979446670 cites W2082865395 @default.
- W1979446670 cites W2083564512 @default.
- W1979446670 cites W2086454499 @default.
- W1979446670 cites W2087684630 @default.
- W1979446670 cites W2088203264 @default.
- W1979446670 cites W2089769517 @default.
- W1979446670 cites W2090543559 @default.
- W1979446670 cites W2094258676 @default.
- W1979446670 cites W2097383747 @default.
- W1979446670 cites W2099606293 @default.
- W1979446670 cites W2102403649 @default.
- W1979446670 cites W2106586614 @default.
- W1979446670 cites W2110112404 @default.
- W1979446670 cites W2116919287 @default.
- W1979446670 cites W2131319730 @default.
- W1979446670 cites W2136393773 @default.
- W1979446670 cites W2140915854 @default.
- W1979446670 cites W2153321597 @default.
- W1979446670 cites W2287736466 @default.
- W1979446670 cites W2318869543 @default.
- W1979446670 cites W2950415445 @default.
- W1979446670 cites W3105119798 @default.
- W1979446670 cites W4243302577 @default.
- W1979446670 cites W4245796559 @default.
- W1979446670 doi "https://doi.org/10.1021/jp207950p" @default.
- W1979446670 hasPublicationYear "2011" @default.
- W1979446670 type Work @default.
- W1979446670 sameAs 1979446670 @default.
- W1979446670 citedByCount "22" @default.
- W1979446670 countsByYear W19794466702012 @default.
- W1979446670 countsByYear W19794466702013 @default.
- W1979446670 countsByYear W19794466702014 @default.
- W1979446670 countsByYear W19794466702015 @default.
- W1979446670 countsByYear W19794466702016 @default.
- W1979446670 countsByYear W19794466702018 @default.
- W1979446670 countsByYear W19794466702019 @default.
- W1979446670 countsByYear W19794466702020 @default.
- W1979446670 countsByYear W19794466702021 @default.
- W1979446670 countsByYear W19794466702022 @default.
- W1979446670 crossrefType "journal-article" @default.
- W1979446670 hasAuthorship W1979446670A5053769720 @default.
- W1979446670 hasAuthorship W1979446670A5067355470 @default.
- W1979446670 hasConcept C104317684 @default.
- W1979446670 hasConcept C111368507 @default.
- W1979446670 hasConcept C127313418 @default.
- W1979446670 hasConcept C147597530 @default.
- W1979446670 hasConcept C147789679 @default.
- W1979446670 hasConcept C150394285 @default.
- W1979446670 hasConcept C159467904 @default.