scholarly journals Photodynamics of alternative DNA base isoguanine

2019 ◽  
Vol 21 (25) ◽  
pp. 13474-13485 ◽  
Author(s):  
Gregory Gate ◽  
Rafał Szabla ◽  
Michael R. Haggmark ◽  
Jiří Šponer ◽  
Andrzej L. Sobolewski ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Pump Probe ◽  
Dna Base ◽  
Photochemical Properties

Pump–probe experiments and quantum-chemical simulations of UV-excited isoguanine elucidate its tautomer dependent photochemical properties.

Unnatural Covalent DNA Base Pairing:  Quantum Chemical Study

2002 ◽  
Vol 106 (40) ◽  
pp. 9319-9324 ◽  
Author(s):  
Eugene S. Kryachko ◽  
Minh Tho Nguyen
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Base Pairing ◽  
Dna Base

Quantum chemical investigations on group IA and IIA metal ionDNA base complexes

1983 ◽  
Vol 76 ◽  
pp. L209-L212 ◽  
Author(s):  
Kritsana P. Sagarik ◽  
Bernd M. Rode
Keyword(s):  
Quantum Chemical ◽  
Metal Ion ◽  
Dna Base

Nature of Base Stacking: Reference Quantum-Chemical Stacking Energies in Ten Unique B-DNA Base-Pair Steps

2006 ◽  
Vol 12 (10) ◽  
pp. 2854-2865 ◽  
Author(s):  
Jiří Šponer ◽  
Petr Jurečka ◽  
Ivan Marchan ◽  
F. Javier Luque ◽  
Modesto Orozco ◽  
...  
Keyword(s):  
Base Pair ◽  
Quantum Chemical ◽  
Base Stacking ◽  
Dna Base ◽  
Dna Base Pair

Novel physico-chemical mechanism of the mutagenic tautomerisation of the Watson–Crick-like A·G and C·T DNA base mispairs: a quantum-chemical picture

RSC Advances ◽  
2015 ◽  
Vol 5 (81) ◽  
pp. 66318-66333 ◽  
Author(s):  
Ol’ha O. Brovarets’ ◽  
Dmytro M. Hovorun
Keyword(s):  
Quantum Chemical ◽  
Chemical Mechanism ◽  
Replication Errors ◽  
Dna Base ◽  
Physico Chemical

Novel routes for the mutagenic tautomerisation of the long A·G and short C·T Watson–Crick DNA base mispairs via sequential DPT are reported, pursuing the goal of an estimation of their contribution into spontaneous point replication errors in DNA.

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).

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