Insights into G-Quadruplex-Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding

STADLBAUER, Petr, ISLAM, Barira, OTYEPKA, Michal, CHEN, J., MONCHAUD, D., ZHOU, J., MERGNY, Jean-Louis, ŠPONER, Jiří. Insights into G-Quadruplex-Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding. Journal of Chemical Theory and Computation. 2021, 17(3), 1883-1899. ISSN 1549-9618. E-ISSN 1549-9626. Available: doi: 10.1021/acs.jctc.0c01176.