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Atomistic mechanisms of the tautomerization of the G·C base pairs through the proton transfer: quantum-chemical survey.
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- Journal of Molecular Modeling, 2021, v. 27, n. 12, p. 1, doi. 10.1007/s00894-021-04988-7
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- Article
A Hidden Side of the Conformational Mobility of the Quercetin Molecule Caused by the Rotations of the O3H, O5H and O7H Hydroxyl Groups: In Silico Scrupulous Study.
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- Symmetry (20738994), 2020, v. 12, n. 2, p. 230, doi. 10.3390/sym12020230
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- Article
Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study.
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- PLoS ONE, 2019, v. 14, n. 11, p. 1, doi. 10.1371/journal.pone.0224762
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- Article
Unexpected A·T(WC)↔A·T(rWC)/A·T(rH) and A·T(H)↔A·T(rH)/A·T(rWC) conformational transitions between the classical A·T DNA base pairs: A QM/QTAIM comprehensive study.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25692
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- Article
Is the DPT tautomerization of the long A·G Watson-Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question.
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- Journal of Computational Chemistry, 2014, v. 35, n. 6, p. 451, doi. 10.1002/jcc.23515
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- Article
The physico-chemical 'anatomy' of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives.
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- Journal of Molecular Modeling, 2013, v. 19, n. 10, p. 4119, doi. 10.1007/s00894-012-1720-9
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- Article
DPT tautomerization of the long A∙A* Watson-Crick base pair formed by the amino and imino tautomers of adenine: combined QM and QTAIM investigation.
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- Journal of Molecular Modeling, 2013, v. 19, n. 10, p. 4223, doi. 10.1007/s00894-013-1880-2
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- Article
A Never-Ending Conformational Story of the Quercetin Molecule: Quantum-Mechanical Investigation of the O3′H and O4′H Hydroxyl Groups Rotations.
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- Applied Sciences (2076-3417), 2020, v. 10, n. 3, p. 1147, doi. 10.3390/app10031147
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- Article
Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.
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- PLoS ONE, 2018, v. 13, n. 6, p. 1, doi. 10.1371/journal.pone.0199044
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- Article
Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2577, doi. 10.1002/jcc.23412
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- Article