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1.
Effects of Intra-Base Pair Proton Transfer on Dissociation and Singlet Oxygenation of 9-Methyl-8-Oxoguanine-1-Methyl-Cytosine Base-Pair Radical Cations.
Chemphyschem
; 24(23): e202300511, 2023 Dec 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37738022
2.
Dynamics and Multiconfiguration Potential Energy Surface for the Singlet O2 Reactions with Radical Cations of Guanine, 9-Methylguanine, 2'-Deoxyguanosine, and Guanosine.
J Phys Chem A
; 125(7): 1564-1576, 2021 Feb 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-33571415
3.
Singlet O2 Oxidation of a Deprotonated Guanine-Cytosine Base Pair and Its Entangling with Intra-Base-Pair Proton Transfer.
Chemphyschem
; 19(20): 2645-2654, 2018 10 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-30047606
4.
Singlet O2 Oxidation of the Radical Cation versus the Dehydrogenated Neutral Radical of 9-Methylguanine in a Watson-Crick Base Pair. Consequences of Structural Context.
J Phys Chem B
; 126(29): 5458-5472, 2022 07 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35849846
5.
Singlet Oxygen Oxidation of the Radical Cations of 8-Oxo-2'-deoxyguanosine and Its 9-Methyl Analogue: Dynamics, Potential Energy Surface, and Products Mediated by C5-O2 -Addition.
Chempluschem
; 86(9): 1243-1254, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34268890
6.
Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solution.
J Phys Chem B
; 113(1): 309-18, 2009 Jan 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-19072621
7.
Reaction Kinetics, Product Branching, and Potential Energy Surfaces of 1O2-Induced 9-Methylguanine-Lysine Cross-Linking: A Combined Mass Spectrometry, Spectroscopy, and Computational Study.
J Phys Chem B
; 123(49): 10410-10423, 2019 12 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-31718186
8.
Aggregation of capped hexaglycine strands into hydrogen-bonding motifs representative of pleated and rippled ß-sheets, collagen, and polyglycine I and II crystal structures. A density functional theory study.
J Phys Chem B
; 115(6): 1562-70, 2011 Feb 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-21261311
9.
Completely geometrically optimized DFT/ONIOM triple-helical collagen-like structures containing the ProProGly, ProProAla, ProProDAla, and ProProDSer triads.
J Am Chem Soc
; 127(41): 14130-1, 2005 Oct 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-16218576
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