Untemplated Nonenzymatic Polymerization of 3′,5′cGMP: A Plausible Route to 3′,5′-Linked Oligonucleotides in Primordia von Šponer, Judit E, Šponer, Jiří, Giorgi, Alessandra, Di Mauro, Ernesto, Pino, Samanta, Costanzo, Giovanna

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RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview von Šponer, Jiří, Bussi, Giovanni, Krepl, Miroslav, Banáš, Pavel, Bottaro, Sandro, Cunha, Richard A, Gil-Ley, Alejandro, Pinamonti, Giovanni, Poblete, Simón, Jurečka, Petr, Walter, Nils G, Otyepka, Michal

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Investigations of Stacked DNA Base-Pair Steps: Highly Accurate Stacking Interaction Energies, Energy Decomposition, and Many-Body Stacking Effects von Kruse, Holger, Banáš, Pavel, Šponer, Jiřı́

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Geometrical and Electronic Structure Variability of the Sugar−phosphate Backbone in Nucleic Acids von Svozil, Daniel, Šponer, Judit E, Marchan, Ivan, Pérez, Alberto, Cheatham, Thomas E, Forti, F, Luque, F. Javier, Orozco, Modesto, Šponer, Jiří

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Assessing the Current State of Amber Force Field Modifications for DNA von Galindo-Murillo, Rodrigo, Robertson, James C, Zgarbová, Marie, Šponer, Jiří, Otyepka, Michal, Jurečka, Petr, Cheatham, Thomas E

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Refinement of the Sugar–Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B‑DNA von Zgarbová, Marie, Šponer, Jiří, Otyepka, Michal, Cheatham, Thomas E., Galindo-Murillo, Rodrigo, Jurečka, Petr

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Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles von Zgarbová, Marie, Otyepka, Michal, Šponer, Jiří, Mládek, Arnošt, Banáš, Pavel, Cheatham, Thomas E, Jurečka, Petr

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High-energy chemistry of formamide: A unified mechanism of nucleobase formation von Ferus, Martin, Nesvorný, David, Šponer, Jiří, Kubelík, Petr, Michalčíková, Regina, Shestivská, Violetta, Šponer, Judit E., Civiš, Svatopluk

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QM Computations on Complete Nucleic Acids Building Blocks: Analysis of the Sarcin–Ricin RNA Motif Using DFT-D3, HF-3c, PM6-D3H, and MM Approaches von Kruse, Holger, Havrila, Marek, Šponer, Jiřı́

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Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters von Zgarbová, Marie, Luque, F. Javier, Šponer, Jiří, Cheatham, Thomas E, Otyepka, Michal, Jurečka, Petr

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Free Energy Landscape of GAGA and UUCG RNA Tetraloops von Bottaro, Sandro, Banáš, Pavel, Šponer, Jiří, Bussi, Giovanni

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Revisiting the Potential Energy Surface of the Stacked Cytosine Dimer: FNO-CCSD(T) Interaction Energies, SAPT Decompositions, and Benchmarking von Kruse, Holger, Šponer, Jiří

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Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions von Kührová, Petra, Mlýnský, Vojtěch, Zgarbová, Marie, Krepl, Miroslav, Bussi, Giovanni, Best, Robert B, Otyepka, Michal, Šponer, Jiří, Banáš, Pavel

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Z‑DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA Torsions for AMBER von Zgarbová, Marie, Šponer, Jiří, Jurečka, Petr

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Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA von Zgarbová, Marie, Otyepka, Michal, Šponer, Jiří, Lankaš, Filip, Jurečka, Petr

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High-Energy Chemistry of Formamide: A Simpler Way for Nucleobase Formation von Ferus, Martin, Michalčíková, Regina, Shestivská, Violetta, Šponer, Jiří, Šponer, Judit E, Civiš, Svatopluk

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Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations... von Svozil, Daniel, Hobza, Pavel, Šponer, Jiří

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Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G‑Quadruplexes von Havrila, Marek, Stadlbauer, Petr, Islam, Barira, Otyepka, Michal, Šponer, Jiří

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Complexity of Guanine Quadruplex Unfolding Pathways Revealed by Atomistic Pulling Simulations von Stadlbauer, Petr, Mlýnský, Vojtěch, Krepl, Miroslav, Šponer, Jiří

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Emergence of the First Catalytic Oligonucleotides in a Formamide-Based Origin Scenario von Šponer, Judit E., Šponer, Jiří, Nováková, Olga, Brabec, Viktor, Šedo, Ondrej, Zdráhal, Zbyněk, Costanzo, Giovanna, Pino, Samanta, Saladino, Raffaele, Di Mauro, Ernesto

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