Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2'-deoxyuridine and the natural nucleoside 2'-deoxythymidine using MP2 and DFT methods: conformational analysis, crystal simulations, DNA pairs and possible behaviour.
about
Conformational analysis, molecular structure and solid state simulation of the antiviral drug acyclovir (zovirax) using density functional theory methods.A QM/QTAIM detailed look at the Watson-Crick↔wobble tautomeric transformations of the 2-aminopurine·pyrimidine mispairs.How many tautomerization pathways connect Watson-Crick-like G*·T DNA base mispair and wobble mismatches?Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine. Simulation of the 1st phosphorylation step with ATP.Physico-chemical profiles of the wobble ↔ Watson-Crick G*·2AP(w) ↔ G·2AP(WC) and A·2AP(w) ↔ A*·2AP(WC) tautomerisations: a QM/QTAIM comprehensive survey.The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation.The nature of the transition mismatches with Watson-Crick architecture: the G*·T or G·T* DNA base mispair or both? A QM/QTAIM perspective for the biological problem.Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs.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.
P2860
Q33833712-5D8F8155-AB6C-4D3F-9B39-9479492805E4Q36374176-CC069C65-6A7E-43C8-A044-5341DF121F5CQ40988042-3B766119-FC18-4BAF-9BEF-A246A7A6438EQ42183553-B795EABE-225D-4919-99D7-F3148E355A5FQ49948938-CD5940AF-E72F-4922-9044-1BB98AAC6E13Q51019686-5E8B889C-AB56-47E4-828F-CFE40077CFFBQ51084530-5AB09FF5-736E-46B3-BE5F-ABBE61E9ABB2Q52656982-31936BE3-1FDF-4EBA-8989-F7ED46D3A6B1Q55513307-60EA6580-D7CF-4BD1-85BF-08ED78121194
P2860
Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2'-deoxyuridine and the natural nucleoside 2'-deoxythymidine using MP2 and DFT methods: conformational analysis, crystal simulations, DNA pairs and possible behaviour.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
@zh-hant
name
Molecular structure difference ...... pairs and possible behaviour.
@en
Molecular structure difference ...... pairs and possible behaviour.
@nl
type
label
Molecular structure difference ...... pairs and possible behaviour.
@en
Molecular structure difference ...... pairs and possible behaviour.
@nl
prefLabel
Molecular structure difference ...... pairs and possible behaviour.
@en
Molecular structure difference ...... pairs and possible behaviour.
@nl
P2860
P1476
Molecular structure difference ...... A pairs and possible behaviour
@en
P2093
M Alcolea Palafox
P2860
P304
P356
10.1080/07391102.2013.789402
P577
2013-06-03T00:00:00Z