Performance of various density functionals for the hydrogen bonds in DNA base pairs

2006 ◽  
Vol 426 (4-6) ◽  
pp. 415-421 ◽  
Author(s):  
Tushar van der Wijst ◽  
Célia Fonseca Guerra ◽  
Marcel Swart ◽  
F. Matthias Bickelhaupt
Keyword(s):  
Hydrogen Bonds ◽  
Density Functionals ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Cooperative vibrational properties of hydrogen bonds in Watson–Crick DNA base pairs

2017 ◽  
Vol 41 (20) ◽  
pp. 12104-12109 ◽  
Author(s):  
Yulei Shi ◽  
Wanrun Jiang ◽  
Zhiyuan Zhang ◽  
Zhigang Wang
Keyword(s):  
Hydrogen Bonds ◽  
Vibrational Properties ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

For the AT pair, Symst and Strech peaks further shift toward the red, giving the H-bonds an amplified effect (orange arrows).

scholarly journals Unveiled electric profiles within hydrogen bonds suggest DNA base pairs with similar bond strengths

PLoS ONE ◽  
2017 ◽  
Vol 12 (10) ◽  
pp. e0185638 ◽  
Author(s):  
Y. B. Ruiz-Blanco ◽  
Y. Almeida ◽  
C. M. Sotomayor-Torres ◽  
Y. García
Keyword(s):  
Hydrogen Bonds ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs ◽  
Bond Strengths

Transient proton transfer of base pair hydrogen bonds induced by intense terahertz radiation

2020 ◽  
Vol 22 (17) ◽  
pp. 9316-9321
Author(s):  
Kaicheng Wang ◽  
Lixia Yang ◽  
Shaomeng Wang ◽  
Lianghao Guo ◽  
Jialu Ma ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Terahertz Radiation ◽  
Base Pair ◽  
Quantum Simulation ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Intense terahertz radiation was applied to trigger transient proton transfer in DNA base pairs through quantum simulation.

Characterizing the Strength of Individual Hydrogen Bonds in DNA Base Pairs

2010 ◽  
Vol 50 (12) ◽  
pp. 2151-2161 ◽  
Author(s):  
Halina Szatyłowicz ◽  
Nina Sadlej-Sosnowska
Keyword(s):  
Hydrogen Bonds ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

scholarly journals Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs

ChemPhysChem ◽  
2020 ◽  
Vol 21 (18) ◽  
pp. 2112-2126
Author(s):  
Olga A. Stasyuk ◽  
Miquel Solà ◽  
Marcel Swart ◽  
Célia Fonseca Guerra ◽  
Tadeusz Marek Krygowski ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Alkali Metal ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study

2020 ◽  
Vol 22 (41) ◽  
pp. 23754-23765
Author(s):  
Karan Deep Sharma ◽  
Preetleen Kathuria ◽  
Stacey D. Wetmore ◽  
Purshotam Sharma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Quantum Chemical ◽  
Computational Study ◽  
Dynamics Simulation ◽  
Base Pairs ◽  
Dna Base ◽  
Modified Dna ◽  
Dna Base Pairs

A comprehesive computational study is presented with the goal to design and analyze model chalcogen-bonded modified nucleobase pairs that replace one or two Watson–Crick hydrogen bonds of the canonical A:T or G:C pair with chalcogen bond(s).

The Nature of Hydrogen Bonds in Cytidine⋅⋅⋅H+⋅⋅⋅Cytidine DNA Base Pairs

2012 ◽  
Vol 51 (17) ◽  
pp. 4067-4070 ◽  
Author(s):  
Anna Lena Lieblein ◽  
Maximilian Krämer ◽  
Andreas Dreuw ◽  
Boris Fürtig ◽  
Harald Schwalbe
Keyword(s):  
Hydrogen Bonds ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Proton transitions in the hydrogen bonds of the DNA base pairs

1972 ◽  
Vol 16 (3) ◽  
pp. 550-554 ◽  
Author(s):  
K.B. Tolpygo ◽  
I.P. Olkhovskaya
Keyword(s):  
Hydrogen Bonds ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs
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