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.
Related projects:	Biomolecular Structure-function Relationships and their role in the Metabolism