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Computational studies of nucleic acids and their complexes with ligands and proteins, including atomistic classical simulations, advanced quantum-chemical calculations, bioinformatics and hybrid QM/MM methods. Structural molecular biology and biophysics. Physical chemistry of molecular interactions. Current main research topics: 1) RNA structural dynamics, folding and catalysis. 2) Protein-RNA complexes. 3) DNA, with focus on G-quadruplexes. 4) Diverse types of quantum-chemical studies on nucleic acids systems. 5) Origin of life (prebiotic chemistry). 6) Development of DNA and RNA simulation force fields.
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论文共 504 篇作者统计合作学者相似作者
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PHOTOCHEMISTRY AND PHOTOBIOLOGYno. 2 (2024): 404-418
Barbora Knappeova,Vojtech Mlynsky,Martin Pykal,Jiri Sponer,Pavel Banas,Michal Otyepka,Miroslav Krepl
crossref(2024)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONno. 7 (2024): e202313226-e202313226
biorxiv(2024)
CHEMICAL SCIENCEno. 6 (2024): 2158-2166
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULESno. Pt 2 (2024): 129712-129712
Jennifer Vögele,Elke Duchardt-Ferner,Jasleen Kaur Bains, Bozana Knezic,Anna Wacker, Christian Sich,Julia E Weigand,Jiří Šponer,Harald Schwalbe,Miroslav Krepl,Jens Wöhnert
Nucleic acids research (2024)
J. Chem. Inf. Model.no. 9 (2023): 2794-2809
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