Estimation of intermolecular interactions of the nucleic acid bases
نویسندگان
چکیده
منابع مشابه
Electrochemical and Spectroscopic Studies of Interactions of Mn(III) Complexes with Nucleic Bases and Nucleosides
The complexes of Mn(OAc)3 and/or Mn(acac)3 with nucleic bases and nucleosides (adenine, guanine, xanthine, adenosine and guanosine) have been synthesized in nonaqueous solution. Polarographic and spectroscopic (IR and Visible) methods have been used to establish the active site(s) on the imidazole and pyrimidine rings in the nucleic bases and nucleosides for the intera...
متن کاملAqueous solutions of pyrimidine nucleic acid bases . Solute – solvent interactions
The data previously reported on the enthalpy of hydration, partial molar volumes and heat capacities of alkylated pyrimidine nucleic acid bases, e.g. uracil, thymine and cytosine, were correlated with the following structural parameters: molecular volume, volume of solvation shell, accessible molecular surface area and its atomic partition as well as and electrostatic potential charge. The simp...
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چکیده ندارد.
15 صفحه اولCoarse-grained model of nucleic acid bases
Atomistic simulations of nucleic acids are prohibitively expensive and, consequently, reduced models of these compounds are of great interest in the field. In this work, we propose a physics-based coarse-grained model of nucleic-acid bases in which each base is represented by several (3-5) interaction centers. van der Waals interactions are modeled by Lennard-Jones spheres with a 12-6 potential...
متن کاملelectrochemical and spectroscopic studies of interactions of mn(iii) complexes with nucleic bases and nucleosides
the complexes of mn(oac)3 and/or mn(acac)3 with nucleic bases and nucleosides (adenine, guanine, xanthine, adenosine and guanosine) have been synthesized in nonaqueous solution. polarographic and spectroscopic (ir and visible) methods have been used to establish the active site(s) on the imidazole and pyrimidine rings in the nucleic bases and nucleosides for the interaction with the mn(iii) com...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2010
ISSN: 0108-7673
DOI: 10.1107/s0108767310095310