Interactions of hydrated iia and iib group metal cations with thioguanine-cytosine dna base pair: Ab initio and density functional theory investigation of polarization effects, differences among cations, and flexibility of the cation hydration shell

Journal of Biomolecular Structure and Dynamics

Volumn 17, Issue 1, 1999, Pages 61-77

  Šponer, Jiří ^a,b   Burda, Jaroslav V ^c   Leszczynski, Jerzy ^d   Hobzal, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b INSTITUTE OF BIOPHYSICS   (Czech Republic)

^c CHARLES UNIVERSITY   (Czech Republic)

^d JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOSINE DERIVATIVE; TIOGUANINE;

ARTICLE; BASE PAIRING; HYDRATION; POLARIZATION; PRIORITY JOURNAL; PROTEIN DNA INTERACTION; PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN STRUCTURE;

EID: 0032862536     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.1999.10508341     Document Type: Article

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22. The 20 kcal/mol difference can be exaggerated since we did not explicitly include the energy which is necessary to deform the hydration shell when allowing the cation-base binding. However the relative trends are clear
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