Search results
- 1.0557148 - ÚOCHB 2023 CZ eng A - Abstract
Fukal, Jiří - Šebera, Jakub - Buděšínský, Miloš - Rosenberg, Ivan - Jurečka, P. - Sychrovský, Vladimír
Ad-MD method for calculation of NMR shift and indirect spin-spin scalar coupling including the effects due to molecular dynamic.
35th NMR Valtice. Central European NMR Meeting. Brno: Tribun EU, 2022 - (Novotný, J.; Marek, R.). C31. ISBN 9788026317173.
[NMR Valtice. Central European NMR Meeting /35./. 24.04.2022-27.04.2022, Valtice]
Institutional support: RVO:61388963
Keywords : NMR shift * molecular dynamics * scalar coupling
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0331204 - 2.0457080 - ÚOCHB 2016 CZ eng A - Abstract
Zgarbová, M. - Otyepka, M. - Šponer, Jiří - Lankaš, Filip - Jurečka, P.
Base pair fraying in molecular dynamics simulations of nucleic acids as a force field benchmark.
Modeling Interactions in Biomolecules 7th. Praha: MATFYZPRESS, 2015 - (Burda, J.). s. 86. ISBN 978-80-7378-303-7.
[Modeling Interactions in Biomolecules /7./. 14.09.2015-18.09.2015, Praha]
Institutional support: RVO:61388963 ; RVO:68081707
Keywords : nucleic acids * molecular dynamics simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257519 - 3.0433595 - ÚOCHB 2015 HU eng A - Abstract
Dubecký, M. - Jurečka, P. - Derian, R. - Mitas, L. - Hobza, Pavel - Otyepka, M.
Noncovalent interactions by quantum Monte Carlo.
CESTC 2014. Central European Symposium on Theoretical Chemistry. Nagybörzsöny: -, 2014.
[CESTC 2014. Central European Symposium on Theoretical Chemistry. 21.09.2014-25.09.2014, Nagybörzsöny]
Institutional support: RVO:61388963
Keywords : noncovalent interactions * quantum chemistry * FN-DMC
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0237798 - 4.0088726 - ÚOCHB 2008 SK cze A - Abstract
Polcr, P. - Vondrášek, Jiří - Hobza, Pavel - Jurečka, P.
Stabilizace struktury proteinů a role disperzních interakcí.
[Stabilization of protein structure and role of dispersion interaction.]
ChemZi. Roč. 3, č. 1 (2007), s. 81. ISSN 1336-7242.
[59. Zjazd chemikov. 02.09.2007-06.09.2007, Tatranské Matliare]
Institutional research plan: CEZ:AV0Z40550506
Keywords : protein structure * stabilization * dispersion interaction
Subject RIV: CC - Organic Chemistry
Permanent Link: http://hdl.handle.net/11104/0150158