Energetic, Topological and Electric Field Analyses of Cation-Cation Nucleic Acid Interactions in Watson-Crick Disposition.

Alkorta, Ibon; Mata, Ignasi; Molins, Elies; Espinosa, Enrique

Alkorta, Ibon; Mata, Ignasi; Molins, Elies; Espinosa, Enrique.

Affiliation

Alkorta I; Instituto de Química Médica (IQM-CSIC), Juan de la Cierva, 3, 28006-, Madrid, Spain.
Mata I; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193, Bellaterra, Spain.
Molins E; Departament de Geologia, Universitat Autònoma de Barcelona, 08193, Bellaterra, Spain.
Espinosa E; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193, Bellaterra, Spain.

Chemphyschem ; 20(1): 148-158, 2019 01 07.

Article in En | MEDLINE | ID: mdl-30412344

Subject(s)

Models, Molecular; Nucleic Acids/chemistry; Base Pairing; Cations; Hydrogen Bonding; Nucleic Acid Conformation; Quantum Theory; Static Electricity; Thermodynamics

Key words

DFT calculations; Watson-Crick; cation-cation interactions; electric-field maps; hydrogen bond; nucleic acid binary complexes; topology of the electron density

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Nucleic Acids / Models, Molecular Language: En Journal: Chemphyschem Journal subject: BIOFISICA / QUIMICA Year: 2019 Type: Article Affiliation country: Spain

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