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2020 – today
- 2024
[j7]Zhengyue Zhang
, Vojtech Mlýnský, Miroslav Krepl, Jirí Sponer, Petr Stadlbauer:
Mechanical Stability and Unfolding Pathways of Parallel Tetrameric G-Quadruplexes Probed by Pulling Simulations. J. Chem. Inf. Model. 64(9): 3896-3911 (2024)- [j6]Petra Kührová, Vojtech Mlýnský, Michal Otyepka, Jirí Sponer, Pavel Banás:
Correction to "Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes". J. Chem. Inf. Model. 64(13): 5356 (2024) - 2023
- [j5]Petra Kührová, Vojtech Mlýnský, Michal Otyepka, Jirí Sponer, Pavel Banás:
Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes. J. Chem. Inf. Model. 63(7): 2133-2146 (2023) - [j4]Zhengyue Zhang, Jirí Sponer, Giovanni Bussi, Vojtech Mlýnský, Petr Sulc, Chad R. Simmons, Nicholas Stephanopoulos, Miroslav Krepl:
Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations. J. Chem. Inf. Model. 63(9): 2794-2809 (2023) - [j3]Petr Stadlbauer, Vojtech Mlýnský, Miroslav Krepl, Jirí Sponer:
Complexity of Guanine Quadruplex Unfolding Pathways Revealed by Atomistic Pulling Simulations. J. Chem. Inf. Model. 63(15): 4716-4731 (2023) - 2022
- [j2]Klaudia Mráziková, Holger Kruse, Vojtech Mlýnský, Pascal Auffinger, Jirí Sponer:
Multiscale Modeling of Phosphate···π Contacts in RNA U-Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions. J. Chem. Inf. Model. 62(23): 6182-6200 (2022) - 2021
- [j1]Klaudia Mráziková, Jirí Sponer, Vojtech Mlýnský, Pascal Auffinger, Holger Kruse:
Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy)Ribose···Nucleobase Lone-Pair···π Contacts in Nucleic Acids. J. Chem. Inf. Model. 61(11): 5644-5657 (2021)
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