FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1970900907> ?p ?o ?g. }

• W1970900907 endingPage "13903" @default.
• W1970900907 startingPage "13898" @default.
• W1970900907 abstract "We study the folding mechanism of a three-helix bundle protein at atomic resolution, including effects of explicit water. Using replica exchange molecular dynamics we perform enough sampling over a wide range of temperatures to obtain the free energy, entropy, and enthalpy surfaces as a function of structural reaction coordinates. Simulations were started from different configurations covering the folded and unfolded states. Because many transitions between all minima at the free energy surface are observed, a quantitative determination of the free energy barriers and the ensemble of configurations associated with them is now possible. The kinetic bottlenecks for folding can be determined from the thermal ensembles of structures on the free energy barriers, provided the kinetically determined transition-state ensembles are similar to those determined from free energy barriers. A mechanism incorporating the interplay among backbone ordering, sidechain packing, and desolvation arises from these calculations. Large Φ values arise not only from native contacts, which mostly form at the transition state, but also from contacts already present in the unfolded state that are partially destroyed at the transition." @default.
• W1970900907 created "2016-06-24" @default.
• W1970900907 creator A5030987631 @default.
• W1970900907 creator A5073530333 @default.
• W1970900907 date "2003-11-17" @default.
• W1970900907 modified "2023-10-16" @default.
• W1970900907 title "Folding a protein in a computer: An atomic description of the folding/unfolding of protein A" @default.
• W1970900907 cites W1658649599 @default.
• W1970900907 cites W1966743338 @default.
• W1970900907 cites W1967936523 @default.
• W1970900907 cites W1969010881 @default.
• W1970900907 cites W1969554454 @default.
• W1970900907 cites W1977396740 @default.
• W1970900907 cites W2002250717 @default.
• W1970900907 cites W2002486460 @default.
• W1970900907 cites W2005047375 @default.
• W1970900907 cites W2007880132 @default.
• W1970900907 cites W2014798121 @default.
• W1970900907 cites W2015752108 @default.
• W1970900907 cites W2018312454 @default.
• W1970900907 cites W2027095682 @default.
• W1970900907 cites W2029871341 @default.
• W1970900907 cites W2031273789 @default.
• W1970900907 cites W2032311486 @default.
• W1970900907 cites W2033558148 @default.
• W1970900907 cites W2035266068 @default.
• W1970900907 cites W2035998327 @default.
• W1970900907 cites W2037410278 @default.
• W1970900907 cites W2040809566 @default.
• W1970900907 cites W2041721370 @default.
• W1970900907 cites W2054038320 @default.
• W1970900907 cites W2061335387 @default.
• W1970900907 cites W2064589158 @default.
• W1970900907 cites W2066255879 @default.
• W1970900907 cites W2072261891 @default.
• W1970900907 cites W2072734360 @default.
• W1970900907 cites W2073728244 @default.
• W1970900907 cites W2076166124 @default.
• W1970900907 cites W2076539319 @default.
• W1970900907 cites W2085142174 @default.
• W1970900907 cites W2085162785 @default.
• W1970900907 cites W2085806783 @default.
• W1970900907 cites W2088780328 @default.
• W1970900907 cites W2097518950 @default.
• W1970900907 cites W2122199548 @default.
• W1970900907 cites W2123701613 @default.
• W1970900907 cites W2140392165 @default.
• W1970900907 cites W2144729032 @default.
• W1970900907 cites W2147396853 @default.
• W1970900907 cites W2158476854 @default.
• W1970900907 cites W2158801277 @default.
• W1970900907 cites W3017082821 @default.
• W1970900907 doi "https://doi.org/10.1073/pnas.2335541100" @default.
• W1970900907 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/283518" @default.
• W1970900907 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/14623983" @default.
• W1970900907 hasPublicationYear "2003" @default.
• W1970900907 type Work @default.
• W1970900907 sameAs 1970900907 @default.
• W1970900907 citedByCount "318" @default.
• W1970900907 countsByYear W19709009072012 @default.
• W1970900907 countsByYear W19709009072013 @default.
• W1970900907 countsByYear W19709009072014 @default.
• W1970900907 countsByYear W19709009072015 @default.
• W1970900907 countsByYear W19709009072016 @default.
• W1970900907 countsByYear W19709009072017 @default.
• W1970900907 countsByYear W19709009072018 @default.
• W1970900907 countsByYear W19709009072019 @default.
• W1970900907 countsByYear W19709009072020 @default.
• W1970900907 countsByYear W19709009072021 @default.
• W1970900907 countsByYear W19709009072022 @default.
• W1970900907 countsByYear W19709009072023 @default.
• W1970900907 crossrefType "journal-article" @default.
• W1970900907 hasAuthorship W1970900907A5030987631 @default.
• W1970900907 hasAuthorship W1970900907A5073530333 @default.
• W1970900907 hasBestOaLocation W19709009071 @default.
• W1970900907 hasConcept C106301342 @default.
• W1970900907 hasConcept C119599485 @default.
• W1970900907 hasConcept C119621388 @default.
• W1970900907 hasConcept C121332964 @default.
• W1970900907 hasConcept C127413603 @default.
• W1970900907 hasConcept C134306372 @default.
• W1970900907 hasConcept C135889238 @default.
• W1970900907 hasConcept C142362112 @default.
• W1970900907 hasConcept C146477669 @default.
• W1970900907 hasConcept C147597530 @default.
• W1970900907 hasConcept C153349607 @default.
• W1970900907 hasConcept C159467904 @default.
• W1970900907 hasConcept C162203774 @default.
• W1970900907 hasConcept C174507519 @default.
• W1970900907 hasConcept C185592680 @default.
• W1970900907 hasConcept C186633575 @default.
• W1970900907 hasConcept C19472624 @default.
• W1970900907 hasConcept C204328495 @default.
• W1970900907 hasConcept C206276672 @default.
• W1970900907 hasConcept C2775937380 @default.
• W1970900907 hasConcept C2776545253 @default.
• W1970900907 hasConcept C32598905 @default.
• W1970900907 hasConcept C3288061 @default.

• next