Thermodynamics and kinetics of intramolecular proton transfer in guanine. Post Hartree-Fock study

Article Abstract:

Characterization of the most stable tautomers and rotamers of guanine is carried out by post Hartree-Fock ab initio calculations. The calculated energy data are used to obtain thermodynamic parameters and also to estimate the composition of the equilibrium mixture of conformers at 0 K and room temperature.

Biological Product (except Diagnostic) Manufacturing, Drugs, Guanine, Analysis, Thermal properties, Hartree-Fock approximation, Chemical thermodynamics

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Principles of RNA base pairing: Structures and energies of the trans Watson-Crick/sugar edge base pairs

Article Abstract:

RNA molecules utilized an astonishing variability of base pairing patterns to build up their structures and perform the biological functions due to the presence of the 2'-OH hydroxyl group of ribose. The trans Watson-Crick/sugar edge RNA base pair family using reliable quantum chemical calculations.

RNA polymerases, Quantum chemistry, Ribose

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