Computer modelling of DNA quadruplex conformational behavior

FADRNÁ, Eva, Naděžda ŠPAČKOVÁ, Jiří ŠPONER and Jaroslav KOČA. Computer modelling of DNA quadruplex conformational behavior. In Chemické Listy. 2002nd ed. Praha: 54. Sjezd chemických společností, 2002, p. 425-426.

Basic information

Original name

Computer modelling of DNA quadruplex conformational behavior

Authors

FADRNÁ, Eva (203 Czech Republic, guarantor), Naděžda ŠPAČKOVÁ (203 Czech Republic), Jiří ŠPONER (203 Czech Republic) and Jaroslav KOČA (203 Czech Republic)

Edition

2002. vyd. Praha, Chemické Listy, p. 425-426, 2 pp. 2002

Publisher

54. Sjezd chemických společností

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Other information

Language

English

Type of outcome

Stať ve sborníku

Field of Study

10610 Biophysics

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

RIV identification code

RIV/00216224:14310/02:00007241

Organization unit

Faculty of Science

Keywords in English

structure; dynamics; nucleic acids

Tags

dynamics, nucleic acids, structure

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Abstract

V originále

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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Links

MSM 143100005, plan (intention)

Name: Strukturně-funkční vztahy biomolekul a jejich role v metabolismu Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Structure-function Relationships and their role in the Metabolism