FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2002027548> ?p ?o ?g. }

• W2002027548 endingPage "1180" @default.
• W2002027548 startingPage "1173" @default.
• W2002027548 abstract "Abstract Stacking energy of all the 10 unique DNA base‐pair steps (bp step) are calculated using density functional theory within the ultrasoft pseudopotential plane wave method and local density approximation for the exchange‐correlation functional. We have studied the dependence of stacking energy on twist angle, an aspect found difficult to explain using classical theory. We have found that the twist angle for different bp steps at stacking energy minimum matches extremely well with the values of average twist obtained from B‐DNA crystal structure data. This indicates that the use of a proper quantum chemical method to calculate the π‐π electronic interactions may explain stacking energy without incorporating hydrophobic interaction through solvent or effect of backbone through pseudobond. From the twist angle‐dependent stacking energy profile, we have also generated the probability distributions of twist for all the bp steps and calculated the variance of the distribution. Our calculated variances show similar trend to that of the experimental data for which sufficient numbers of data are available. The TA, AT, and CG doublets show large variances among the 10 possible bp steps, indicating their maximum flexibility. This might be the case of unusual deformation observed at the TATA‐box while binding to TBP protein. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008" @default.
• W2002027548 created "2016-06-24" @default.
• W2002027548 creator A5031173480 @default.
• W2002027548 creator A5049916617 @default.
• W2002027548 creator A5051389777 @default.
• W2002027548 creator A5055724913 @default.
• W2002027548 date "2008-01-01" @default.
• W2002027548 modified "2023-10-18" @default.
• W2002027548 title "Twist-dependent stacking energy of base-pair steps in B-DNA geometry: A density functional theory approach" @default.
• W2002027548 cites W1515962682 @default.
• W2002027548 cites W1518002808 @default.
• W2002027548 cites W1547155359 @default.
• W2002027548 cites W1595169993 @default.
• W2002027548 cites W1597842671 @default.
• W2002027548 cites W1964243769 @default.
• W2002027548 cites W1969037835 @default.
• W2002027548 cites W1969377214 @default.
• W2002027548 cites W1971803965 @default.
• W2002027548 cites W1973996949 @default.
• W2002027548 cites W1976099809 @default.
• W2002027548 cites W1987764614 @default.
• W2002027548 cites W1989200085 @default.
• W2002027548 cites W1993091782 @default.
• W2002027548 cites W1993277203 @default.
• W2002027548 cites W1998068779 @default.
• W2002027548 cites W2004045793 @default.
• W2002027548 cites W2004137910 @default.
• W2002027548 cites W2008681153 @default.
• W2002027548 cites W2011790328 @default.
• W2002027548 cites W2014962135 @default.
• W2002027548 cites W2016841933 @default.
• W2002027548 cites W2020909889 @default.
• W2002027548 cites W2032820551 @default.
• W2002027548 cites W2036231551 @default.
• W2002027548 cites W2037431357 @default.
• W2002027548 cites W2043559087 @default.
• W2002027548 cites W2043995349 @default.
• W2002027548 cites W2046943018 @default.
• W2002027548 cites W2049551685 @default.
• W2002027548 cites W2053561906 @default.
• W2002027548 cites W2069970015 @default.
• W2002027548 cites W2070927764 @default.
• W2002027548 cites W2072071753 @default.
• W2002027548 cites W2072112159 @default.
• W2002027548 cites W2073380384 @default.
• W2002027548 cites W2075599568 @default.
• W2002027548 cites W2079105963 @default.
• W2002027548 cites W2079293588 @default.
• W2002027548 cites W2082217157 @default.
• W2002027548 cites W2083222334 @default.
• W2002027548 cites W2086348431 @default.
• W2002027548 cites W2091643064 @default.
• W2002027548 cites W2092822318 @default.
• W2002027548 cites W2100380699 @default.
• W2002027548 cites W2143726250 @default.
• W2002027548 cites W2144645700 @default.
• W2002027548 cites W2155805802 @default.
• W2002027548 cites W385179447 @default.
• W2002027548 doi "https://doi.org/10.1002/qua.21579" @default.
• W2002027548 hasPublicationYear "2008" @default.
• W2002027548 type Work @default.
• W2002027548 sameAs 2002027548 @default.
• W2002027548 citedByCount "12" @default.
• W2002027548 countsByYear W20020275482012 @default.
• W2002027548 countsByYear W20020275482013 @default.
• W2002027548 countsByYear W20020275482014 @default.
• W2002027548 countsByYear W20020275482015 @default.
• W2002027548 countsByYear W20020275482016 @default.
• W2002027548 countsByYear W20020275482018 @default.
• W2002027548 crossrefType "journal-article" @default.
• W2002027548 hasAuthorship W2002027548A5031173480 @default.
• W2002027548 hasAuthorship W2002027548A5049916617 @default.
• W2002027548 hasAuthorship W2002027548A5051389777 @default.
• W2002027548 hasAuthorship W2002027548A5055724913 @default.
• W2002027548 hasConcept C121332964 @default.
• W2002027548 hasConcept C132378524 @default.
• W2002027548 hasConcept C147597530 @default.
• W2002027548 hasConcept C152365726 @default.
• W2002027548 hasConcept C178790620 @default.
• W2002027548 hasConcept C184779094 @default.
• W2002027548 hasConcept C185592680 @default.
• W2002027548 hasConcept C2524010 @default.
• W2002027548 hasConcept C2776196297 @default.
• W2002027548 hasConcept C33347731 @default.
• W2002027548 hasConcept C33923547 @default.
• W2002027548 hasConcept C41999313 @default.
• W2002027548 hasConcept C8010536 @default.
• W2002027548 hasConceptScore W2002027548C121332964 @default.
• W2002027548 hasConceptScore W2002027548C132378524 @default.
• W2002027548 hasConceptScore W2002027548C147597530 @default.
• W2002027548 hasConceptScore W2002027548C152365726 @default.
• W2002027548 hasConceptScore W2002027548C178790620 @default.
• W2002027548 hasConceptScore W2002027548C184779094 @default.
• W2002027548 hasConceptScore W2002027548C185592680 @default.
• W2002027548 hasConceptScore W2002027548C2524010 @default.
• W2002027548 hasConceptScore W2002027548C2776196297 @default.
• W2002027548 hasConceptScore W2002027548C33347731 @default.
• W2002027548 hasConceptScore W2002027548C33923547 @default.

• next