| UUCG RNA tetraloop as a formidable force-field challenge for MD simulations K Mráziková, V Mlýnský, P Kührová, P Pokorná, H Kruse, M Krepl, ... Journal of chemical theory and computation 16 (12), 7601-7617, 2020 | 35 | 2020 |
| Short but Weak: The Z‐DNA Lone‐Pair⋅⋅⋅ π Conundrum Challenges Standard Carbon Van der Waals Radii H Kruse, K Mrazikova, L d'Ascenzo, J Sponer, P Auffinger Angewandte Chemie 132 (38), 16696-16703, 2020 | 23 | 2020 |
| Phosphorothioate substitutions in RNA structure studied by molecular dynamics simulations, QM/MM calculations, and NMR experiments Z Zhang, J Vogele, K Mráziková, H Kruse, X Cang, J Wöhnert, M Krepl, ... The Journal of Physical Chemistry B 125 (3), 825-840, 2021 | 15 | 2021 |
| High‐Energy Proton‐Beam‐Induced Polymerization/Oxygenation of Hydroxynaphthalenes on Meteorites and Nitrogen Transfer from Urea: Modeling Insoluble Organic Matter? BM Bizzarri, P Manini, V Lino, M d'Ischia, M Kapralov, E Krasavin, ... Chemistry–A European Journal 26 (65), 14919-14928, 2020 | 9 | 2020 |
| Formamide-based post-impact thermal prebiotic synthesis in simulated craters: Intermediates, products and mechanism M Ferus, A Knížek, L Petera, A Pastorek, J Hrnčířová, L Jankovič, ... Frontiers in Astronomy and Space Sciences 9, 882145, 2022 | 6 | 2022 |
| Short-range imbalances in the AMBER Lennard-Jones potential for (deoxy) ribose··· nucleobase lone-pair··· π contacts in nucleic acids K Mráziková, J Sponer, V Mlynsky, P Auffinger, H Kruse Journal of Chemical Information and Modeling 61 (11), 5644-5657, 2021 | 6 | 2021 |
| Abiotic chemical routes towards the phosphine synthesis in the atmosphere of Venus M Ferus, G Cassone, P Rimmer, F Saija, K Mráziková, A Knížek, S Civiš European planetary science congress, EPSC2022-198, 2022 | 5 | 2022 |
| Prebiotic route to thymine from formamide—a combined experimental–theoretical study L Petera, K Mrazikova, L Nejdl, K Zemankova, M Vaculovicova, ... Molecules 26 (8), 2248, 2021 | 4 | 2021 |
| Water Dimer under Electric Fields: An Ab Initio Investigation up to Quantum Accuracy MF Torre, A Amadeo, G Cassone, M Tommasini, K Mráziková, F Saija The Journal of Physical Chemistry A 128 (28), 5490-5499, 2024 | 1 | 2024 |
| Multiscale Modeling of Phosphate··· π Contacts in RNA U-Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions K Mráziková, H Kruse, V Mlýnský, P Auffinger, J Sponer Journal of Chemical Information and Modeling 62 (23), 6182-6200, 2022 | 1 | 2022 |
| A Novel Abiotic Pathway for Phosphine Synthesis over Acidic Dust in Venus' Atmosphere K Mráziková, A Knížek, H Saeidfirozeh, L Petera, S Civiš, F Saija, ... Astrobiology 24 (4), 407-422, 2024 | | 2024 |
| Multiscale modelling of phosphate… π contacts in RNA U-turns reveals AMBER force-field deficiencies K Mrazikova, H Kruse, V Mlýnský, P Auffinger, J Šponer | | 2022 |
| Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy) Ribose center dot center dot center dot Nucleobase Lone-Pair center dot center dot center dot pi … K Mrazikova, J Sponer, V Mlynsky, P Auffinger, H Kruse JOURNAL OF CHEMICAL INFORMATION AND MODELING 61 (11), 5644-5657, 2021 | | 2021 |
| Studium molekulových interakcí v nukleových kyselinách:(deoxy) ribosa-báze a fosfát-báze K Mráziková | | 2018 |
