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Molecular dynamics simulations of solvated UDP-glucose in interaction with Mg cations
Mg2+ binds to the pyrophosphate oxygens in hydrated uridine 5-diphosphoglucose and affects its structure, helping to explain its role as a cofactor in glycosyltransferase catalysis....
CE - Biochemie
- 2001 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Interaction of the Adenine-Thymine Watson-Crick and Adenine-Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) Metal Cations: Absence
Interaction of the Adenine-Thymine Watson-Crick and Adenine-Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) Metal Cations: Absence of the Base Pair Stabil...
CF - Fyzikální chemie a teoretická chemie
- 1999 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Interaction between the guanine-cytosine Watson-Crick DNA base pair and hydrated group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and Group IIb (Zn2+, Cd2+, Hg2+) metal cations
CF - Fyzikální chemie a teoretická chemie
- 1998 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Interactions of hydrated divalent metal cations with nucleic acid bases. How to relate the gas phase data to solution situation and binding selectivity in nucleic acids
Binding modes of hydrated Zn2+ and Mg2+ cations to the N7 and O6 positions of guanine have been characterized by state-of-the-art ab initio model calculations. We show how differences in the electronic structure of the ...
BO - Biofyzika
- 2004 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Tautomeric Equilibrium, Stability, and Hydrogen Bonding in 2-Deoxyguanosine Monophosphate Complexed with Mg2+
Study of the tautomeric equilibrium and hydrogen bonding in nucleotide 2-deoxyguanosine monophosphate that interacts with hydrated Mg2+ cation (4H2O.Mg[dGMP]) using the MP2/cc-pVDZ//B3LYP/cc-pVDZ and B3LYP/aug-cc-pVTZ//B3LY...
BO - Biofyzika
- 2008 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Theoretical Calculation of the NMR Spin-Spin Coupling Constants and the NMR Shifts Allow Distinguishability between the Specific Direct and the Water-Mediated Binding of a Divalent Metal Cation
-shell and the outer-shell binding motif of hydrated divalent cations Mg2+ or Zn2+ with a guaninebase. The intermolecular coupling constants (1)J(X, O6) and (1)J(X, N7) (X = Mg2 of the hydrated cation<...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
How divalent cations Ca2+, Mg2+ and Zn2+ influence the absorption and photoluminescence of Er3+/Yb3+ doped silicate glass
How divalent cations Ca2+, Mg2+ and Zn2+ influence the absorption and...
JH - Keramika, žáruvzdorné materiály a skla
- 2005 •
- O
Rok uplatnění
O - Ostatní výsledky
Přednáška: How divalent cations Ca2+, Mg2+, and Zn2+ influence the absorption and photoluminescenece of Er3+/Yb3+ doped silicate glass
How divalent cations Ca2+, Mg2+, and Zn2+ influence the absorption and photoluminescenece of Er3+/Yb3+ doped silicate glass...
CA - Anorganická chemie
- 2005 •
- O
Rok uplatnění
O - Ostatní výsledky
Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes
at 2205 cm-1 was assigned to monocarbonyl complexes formed on Mg2+ cations located that Mg2+ cations exchange preferably into this site. An unusually high site in the investigation of preferable exchange sites of ...
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods
. In this paper, for divalent metal cations Ca2+, Cd2+, Cu2+, Fe2+, Hg2+, Mg2+, Ni2+, Pb2+, and Zn2+, we compare two approaches for predicting hydration numbers: (1) a mixedHydration and, in particular, the coordin...
Physical chemistry
- 2024 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
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