Publication details
Computer modelling of DNA quadruplex conformational behavior
| Authors | |
|---|---|
| Year of publication | 2002 |
| Type | Article in Proceedings |
| Conference | Chemické Listy |
| MU Faculty or unit | |
| 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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