Browsing by Author "Šponer, Jiří"
Now showing items 1-5 of 5
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Computer aided development of nucleic acid applications in nanotechnologies
Paloncýová, Markéta; Pykal, Martin; Kührová, Petra; Banáš, Pavel; Šponer, Jiří; Otyepka, Michal (Small. 2022, vol. 18, issue 49.) -
Prebiotic synthesis of 3',5'-cyclic adenosine and guanosine monophosphates through carbodiimide-assisted cyclization
Coulon, Rémi; Papoušková, Barbora; Mohammadi, Elmira; Otyepka, Michal; Wunnava, Sreekar; Šponer, Jiří; Šponer, Judit E. (ChemBioChem. 2023, vol. 24, issue 24, art. no. e202300510.) -
Sensitivity of the RNA structure to ion conditions as probed by molecular dynamics simulations of common canonical RNA duplexes
Kührová, Petra; Mlýnský, Vojtěch; Otyepka, Michal; Šponer, Jiří; Banáš, Pavel (Journal of Chemical Information and Modeling. 2023, vol. 63, issue 7, p. 2133-2146.) -
Simple adjustment of intranucleotide base-phosphate interaction in the OL3 AMBER force field improves RNA simulations
Mlýnský, Vojtěch; Kührová, Petra; Stadlbauer, Petr; Krepl, Miroslav; Otyepka, Michal; Banáš, Pavel; Šponer, Jiří (Journal of Chemical Theory and Computation. 2023, vol. 19, issue 22, p. 8423-8433.) -
Toward convergence in folding simulations of RNA tetraloops: Comparison of enhanced sampling techniques and effects of force field modifications
Mlýnský, Vojtěch; Janeček, Michal; Kührová, Petra; Fröhlking, Thorben; Otyepka, Michal; Bussi, Giovanni; Banáš, Pavel; Šponer, Jiří (Journal of Chemical Theory and Computation. 2022, vol. 18, issue 4, p. 2642-2656.)