Sponer lab
@sponer_lab
Jiri Sponer research group at @BFUavcr. computational studies of nucleic acids, force-field development, origin of life, #RNA,#DNA,#moleculardynamics,#compchem
ID: 1500493243506692100
06-03-2022 15:28:49
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103 Followers
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our new work using #QM to evaluate AMBER force-field accuracy for anion-Ď€ interactions in RNA by Klaudia Mrazikova, Holger Kruse and Vojtech is out:
With Sponer lab we (Czech Advanced Technology and Research Institute) overviewed "Computer Aided Development of Nucleic Acid Applications in Nanotechnologies". Enjoy our Small contribution at doi.org/10.1002/smll.2…
Atomistic mechanism of DNA Holliday Junction opening revealed by enhanced sampling #moleculardynamics using a modified force field. Great work by @Catcat_yq and Miroslav from Institute of Biophysics of the Czech Acad. Sci. in cooperation with bussilab and Petr Šulc. Now out in JCIM & JCTC Journals, enjoy reading!🧬💻
Proud to take part in this #RNA #FF project now presented at #CompChem EuChemS by Dr. Mlynsky Sponer lab EXA4MIND Czech Advanced Technology and Research Institute IT4Innovations Univerzita Palackého VŠB – Technická univerzita Ostrava
Improving #RNA force field: we propose an LJ term correction for base-phosphate interactions, reducing intranucleotide clashes in anti-conformation, improving agreement with experimental data. Out in JCIM & JCTC Journals: doi.org/10.1021/acs.jc… michal otyepka #moleculardynamics #compchem
Our new article on UV-induced electron transfer through DNA, DNA self-repair and their dependence on the relative arrangement of nucleobases has just been published online in Chemical Science . A combination of #compchem and experiments. Politechnika Wrocławska 1/3 pubs.rsc.org/en/Content/Art…
now out: doi.org/10.1016/j.ijbi… that parallel stranded d(GGGA)3GGG DNA G4 folds via multiple paths from a coil-like ensemble #moleculardynamics Sponer lab