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

2010 ◽  
Vol 98 (3) ◽  
pp. 391a
Author(s):  
Chinapong Kritayakornupong ◽  
Arthitaya Meeprasert ◽  
Ladawan Leelasatiankun
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Density Functional ◽  
Dft Study ◽  
Base Pairs ◽  
Functional Theory ◽  
Dna Base ◽  
Dna Base Pairs

B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replication

2017 ◽  
Vol 19 (26) ◽  
pp. 16969-16978 ◽  
Author(s):  
Trevor A. Hamlin ◽  
Jordi Poater ◽  
Célia Fonseca Guerra ◽  
F. Matthias Bickelhaupt
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Model Systems ◽  
Structure Stability ◽  
Implicit Solvation ◽  
Base Pairs ◽  
Functional Theory ◽  
Dna Base ◽  
Dna Base Pairs

We have computationally analyzed a comprehensive series of Watson–Crick and mismatched B-DNA base pairs, in the gas phase and in several solvents, including toluene, chloroform, ammonia, methanol and water, using dispersion-corrected density functional theory and implicit solvation.

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

2001 ◽  
Vol 114 (12) ◽  
pp. 5149-5155 ◽  
Author(s):  
Marcus Elstner ◽  
Pavel Hobza ◽  
Thomas Frauenheim ◽  
Sándor Suhai ◽  
Efthimios Kaxiras
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Nucleic Acid ◽  
Density Functional ◽  
Stacking Interactions ◽  
Acid Base ◽  
Base Pairs ◽  
Functional Theory ◽  
Nucleic Acid Base

scholarly journals Quantum Chemical Calculations on Locked Nucleic Acid based Modifications: A Density Functional Theory (DFT) Study

2020 ◽  
Author(s):  
Mallikarjunachari Uppuladinne ◽  
Dikshita Dowerah ◽  
Uddhavesh Sonavane ◽  
Suvendra Kumar Ray ◽  
Ramesh Deka ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Nucleic Acid ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Density Functional ◽  
Locked Nucleic Acid ◽  
Dft Study ◽  
Functional Theory
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