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

Stadlbauer, P., Islam, B., Otyepka, M., Chen, J., Monchaud, D., Zhou, J., Mergny, J.-L., Šponer, J. 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.