Computer modelling of DNA quadruplex conformational behavior

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Authors

FADRNÁ Eva ŠPAČKOVÁ Naděžda ŠPONER Jiří KOČA Jaroslav

Year of publication 2002
Type Article in Proceedings
Conference Chemické Listy
MU Faculty or unit

Faculty of Science

Citation
Field Biophysics
Keywords structure; dynamics; nucleic acids
Description Advanced methods of molecular modelling have been applied on the DNA quadruplexes. We have investigated an antiparallel DNA quadruplex formed by a dimerization of dGGGGTTTTGGGG with a four-tetrad stem and two lateral four-thymidine loop. A long scale molecular dynamics (MD) has been applied together with a post processing analysis including the study of solvation, interactions with ions, the free energy contribution and the entropy analysis.
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