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Hydrogen-Bonding Strengths in Pyrrolidinyl Peptide Nucleic Acid and DNA Base Pairs: A Density Functional Theory (DFT) Study

โœ Scribed by Kritayakornupong, Chinapong; Meeprasert, Arthitaya; Leelasatiankun, Ladawan


Book ID
122254925
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
40 KB
Volume
98
Category
Article
ISSN
0006-3495

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The potential energy surface along the hydrogen-bonded proton transfer between the Watson-Crick (WC) adenine-thymine (A-T) base pair of deoxyribonucleic acid (DNA) and its tautomeric structures is calculated with 6-31G(d,p) basis set in Hartree-Fock (HF), density functional theory with Becke's three