Number of the records: 1
Effects of restrained sampling space and nonplanar amino groups on free-energy predictions for RNA with imino and sheared tandem GA base pairs flanked by GC, CG, iGiC or iCiG base pairs
- 1.
SYSNO ASEP 0328538 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Effects of restrained sampling space and nonplanar amino groups on free-energy predictions for RNA with imino and sheared tandem GA base pairs flanked by GC, CG, iGiC or iCiG base pairs Title Efekt omezeného sámplování a neplenárních aminoskupin na volnou energii predikcí pro RNA s imino a "sheared" hromadnými páry bází GA obklopenými páry GC, CT, iGiC nebo iCiG Author(s) Yildirim, I. (US)
Stern, H.A. (US)
Šponer, Jiří (BFU-R) RID, ORCID
Špačková, Naďa (BFU-R) RID
Turner, D.H. (US)Source Title Journal of Chemical Theory and Computation . - : American Chemical Society - ISSN 1549-9618
Roč. 5, č. 8 (2009), s. 2088-2100Number of pages 13 s. Language eng - English Country US - United States Keywords base pairs ; NMR ; amber force field Subject RIV BO - Biophysics R&D Projects IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) LC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z50040507 - BFU-R (2005-2011) AV0Z50040702 - BFU-R (2007-2013) UT WOS 000268720100013 DOI 10.1021/ct800540c Annotation Guanine-adenine (GA) base pairs play important roles in determining the structure, dynamics, and stability of RNA. Calculations reported here test the thermodynamic integration (TI) approach with the amber99 force field by comparing computational predictions of free energy differences with the free energy differences expected on the basis of NMR determined structures of the RNA motifs. Workplace Institute of Biophysics Contact Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244 Year of Publishing 2010
Number of the records: 1