Proton chemical shift prediction of A.A mismatches in B-DNA duplexes
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AbstractA proton chemical shift prediction method has been developed for double helical DNAs containing A-A mismatches. This method makes use of the chemical shift prediction scheme for normal B-DNA duplexes developed by Altona and co-workers and a set of A-A mismatch triplet chemical shift values and corrections factors extracted from reference sequences. The triplet values are used for predicting chemical shifts of A-A mismatches whereas the normal B-DNA chemical shifts and correction factors are used for the flanking residues of A-A mismatches. Both 5'- and 3'-correction factors have been determined from the chemical shift differences upon replacing the A-A mismatch in a duplex with an A-T base pair. Based on 560 sets of predicted and experimental chemical shifts, the overall prediction accuracy for various types of protons has been determined to be 0.07 ppm with an excellent correlation coefficient of 0.9996. (C) 2007 Elsevier Inc. All rights reserved.
All Author(s) ListLam SL, Lai KF, Chi LM
Journal nameJournal of Magnetic Resonance
Year2007
Month7
Day1
Volume Number187
Issue Number1
PublisherACADEMIC PRESS INC ELSEVIER SCIENCE
Pages105 - 111
ISSN1090-7807
eISSN1096-0856
LanguagesEnglish-United Kingdom
KeywordsA.A mismatch; DNA; prediction; proton chemical shift
Web of Science Subject CategoriesBiochemical Research Methods; BIOCHEMICAL RESEARCH METHODS; Biochemistry & Molecular Biology; Physics; Physics, Atomic, Molecular & Chemical; PHYSICS, ATOMIC, MOLECULAR & CHEMICAL; Spectroscopy; SPECTROSCOPY

Last updated on 2021-19-09 at 00:49