MOLECULAR SIMULATIONS OF TYPE II TOPOISOMERASES
Molecular simulations allowed a greater understanding of the dynamic properties of the N-terminal ATPase domain of topo IIα, where the target ATP site is located, as well as the consideration of the flexibility of the entire topo II system during the catalytic cycle.
SELECTED PUBLICATIONS
HERLAH, Barbara, PAVLIN, Matic, PERDIH Andrej. Molecular choreography: Unveiling the dynamic landscape of type IIA DNA topoisomerases before T-segment passage through all-atom simulations. International Journal of Biological Macromolecules, 2024, 269, 131991 Full text
PAVLIN, Matic, HERLAH, Barbara, VALJAVEC, Katja, PERDIH, Andrej. Unveiling the interdomain dynamics of type II DNA topoisomerase through all-atom simulations : implications for understanding its catalytic cycle. Computational and Structural Biotechnology Journal. 2023, vol. 21, str. 3746-3759. Full text
OGRIZEK, Mitja, JANEŽIČ, Matej, VALJAVEC, Katja, PERDIH, Andrej. Catalytic mechanism of ATP hydrolysis in the ATPase domain of human DNA topoisomerase IIα. Journal of chemical information and modeling. 2022, vol. 62, iss. 16, str. 3896–3909. Full text