title: [Energy of a ligand-RNA complex formation].
abstract: This work presents an energetic analysis of complex formation of eleven ligands with different structure and charge with RNA aptamers. The most entire set of the components of the total Gibbs energy of complex formation has been first calculated using different physical factors: van der Waals, electrostatic and hydrophobic interactions, hydrogen bonds and specific factors being predominantly of entropic character. The calculated Gibbs energy is found to be in a good agreement with experimental data. Different energy components which stabilize and destabilize complexes are lined up according to the degree of importance. The results obtained provide an understanding of the role of different physical interactions in a ligand-RNA complex formation.
authors.forename: V V
authors.initials: VV
authors.lastname: Kostiukov
authors.forename: M P
authors.initials: MP
authors.lastname: Evstigneev
mesh_terms: D052157:Aptamers, Nucleotide / Q000737:chemistry*; D003198:Computer Simulation; D019277:Entropy; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D008024:Ligands; D008958:Models, Molecular; D012313:RNA / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D052157:Aptamers, Nucleotide; D008024:Ligands; D012313:RNA