Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100563762> ?p ?o ?g. }
- W3100563762 abstract "Abstract Water-mediated interactions (WMIs) play diverse roles in molecular biology. They are particularly relevant in geometrically confined spaces such as the interior of the chaperonin, at the interface between ligands and their binding partners, and in the ribosome tunnel. Inspired in part by the geometry of the ribosome tunnel, we consider confinement effects on the stability of peptides. We describe results from replica exchange molecular dynamics simulations of a system containing a 23-alanine or 23-serine polypeptide confined to non-polar and polar nanotubes in the gas phase and when open to a water reservoir. We quantify the effect of water in determining the preferred conformational states of these polypeptides by calculating the difference in the solvation free energy for the helix and coil states in the open nanotube in the two phases. Our simulations reveal several possibilities. We find that nanoscopic confinement preferentially stabilizes the helical state of polypeptides with hydrophobic side chains, which is explained by the entropic stabilization mechanism proposed on the basis of polymer physics. Polypeptide chains with hydrophilic side chains can adopt helical structures within nanotubes, but helix formation is sensitive to the nature of the nanotube due to WMIs. We elaborate on the potential implications of our findings to the stability of peptides in the ribosome tunnel." @default.
- W3100563762 created "2020-11-23" @default.
- W3100563762 creator A5024071457 @default.
- W3100563762 creator A5036725653 @default.
- W3100563762 creator A5054769976 @default.
- W3100563762 date "2020-11-11" @default.
- W3100563762 modified "2023-09-27" @default.
- W3100563762 title "Water-mediated interactions determine helix formation of peptides in open nanotubes" @default.
- W3100563762 cites W1535422202 @default.
- W3100563762 cites W1969633341 @default.
- W3100563762 cites W1972030428 @default.
- W3100563762 cites W1980232931 @default.
- W3100563762 cites W1986470277 @default.
- W3100563762 cites W1986720579 @default.
- W3100563762 cites W1991117413 @default.
- W3100563762 cites W1992318666 @default.
- W3100563762 cites W1992898397 @default.
- W3100563762 cites W1996022482 @default.
- W3100563762 cites W1997944660 @default.
- W3100563762 cites W2010290556 @default.
- W3100563762 cites W2010950827 @default.
- W3100563762 cites W2017019577 @default.
- W3100563762 cites W2026814176 @default.
- W3100563762 cites W2031272029 @default.
- W3100563762 cites W2032363535 @default.
- W3100563762 cites W2032807934 @default.
- W3100563762 cites W2035723991 @default.
- W3100563762 cites W2040809566 @default.
- W3100563762 cites W2043793450 @default.
- W3100563762 cites W2045648638 @default.
- W3100563762 cites W2049747350 @default.
- W3100563762 cites W2050719523 @default.
- W3100563762 cites W2054864208 @default.
- W3100563762 cites W2059086213 @default.
- W3100563762 cites W2067329096 @default.
- W3100563762 cites W2067337097 @default.
- W3100563762 cites W2070206101 @default.
- W3100563762 cites W2077767650 @default.
- W3100563762 cites W2079591552 @default.
- W3100563762 cites W2080333909 @default.
- W3100563762 cites W2082199388 @default.
- W3100563762 cites W2086402782 @default.
- W3100563762 cites W2086905271 @default.
- W3100563762 cites W2102524306 @default.
- W3100563762 cites W2103495841 @default.
- W3100563762 cites W2104529244 @default.
- W3100563762 cites W2105120291 @default.
- W3100563762 cites W2109154308 @default.
- W3100563762 cites W2119781014 @default.
- W3100563762 cites W2126148557 @default.
- W3100563762 cites W2130155913 @default.
- W3100563762 cites W2150766477 @default.
- W3100563762 cites W2170004934 @default.
- W3100563762 cites W2395521783 @default.
- W3100563762 cites W2396652660 @default.
- W3100563762 cites W2485006664 @default.
- W3100563762 cites W2570828902 @default.
- W3100563762 cites W2902670890 @default.
- W3100563762 cites W2952071696 @default.
- W3100563762 cites W2962931957 @default.
- W3100563762 cites W2963331293 @default.
- W3100563762 cites W2990974325 @default.
- W3100563762 cites W2999367270 @default.
- W3100563762 cites W3101392086 @default.
- W3100563762 cites W3102029358 @default.
- W3100563762 doi "https://doi.org/10.1101/2020.11.11.378026" @default.
- W3100563762 hasPublicationYear "2020" @default.
- W3100563762 type Work @default.
- W3100563762 sameAs 3100563762 @default.
- W3100563762 citedByCount "0" @default.
- W3100563762 crossrefType "posted-content" @default.
- W3100563762 hasAuthorship W3100563762A5024071457 @default.
- W3100563762 hasAuthorship W3100563762A5036725653 @default.
- W3100563762 hasAuthorship W3100563762A5054769976 @default.
- W3100563762 hasBestOaLocation W31005637621 @default.
- W3100563762 hasConcept C104317684 @default.
- W3100563762 hasConcept C147597530 @default.
- W3100563762 hasConcept C148093993 @default.
- W3100563762 hasConcept C159467904 @default.
- W3100563762 hasConcept C171250308 @default.
- W3100563762 hasConcept C178790620 @default.
- W3100563762 hasConcept C185592680 @default.
- W3100563762 hasConcept C18903297 @default.
- W3100563762 hasConcept C192562407 @default.
- W3100563762 hasConcept C2777619693 @default.
- W3100563762 hasConcept C2778530040 @default.
- W3100563762 hasConcept C2779965526 @default.
- W3100563762 hasConcept C32909587 @default.
- W3100563762 hasConcept C513720949 @default.
- W3100563762 hasConcept C55493867 @default.
- W3100563762 hasConcept C59593255 @default.
- W3100563762 hasConcept C67705224 @default.
- W3100563762 hasConcept C86803240 @default.
- W3100563762 hasConcept C88478588 @default.
- W3100563762 hasConceptScore W3100563762C104317684 @default.
- W3100563762 hasConceptScore W3100563762C147597530 @default.
- W3100563762 hasConceptScore W3100563762C148093993 @default.
- W3100563762 hasConceptScore W3100563762C159467904 @default.
- W3100563762 hasConceptScore W3100563762C171250308 @default.
- W3100563762 hasConceptScore W3100563762C178790620 @default.