Search results
- 1.0556183 - ÚOCHB 2023 US eng A - Abstract
Nencini, Ricky - Tempra, Carmelo - Biriukov, Denys - Polak, J. - Ondo, D. - Heyda, J. - Ollila, S. O. - Javanainen, M. - Martinez-Seara Monne, Hector
Prosecco: polarization reintroduced by optimal scaling of electronic continuum correction origin in MD simulations.
Biophysical Journal. Cell Press. Roč. 121, č. 3 (2022), 157A-157A. ISSN 0006-3495. E-ISSN 1542-0086.
[Annual Meeting of the Biophysical Society /66./. 19.02.2022-23.02.2022, San Francisco]
Institutional support: RVO:61388963
Keywords : molecular dynamics * accesible timescale
OECD category: Physical chemistry
https://doi.org/10.1016/j.bpj.2021.11.1935
Permanent Link: http://hdl.handle.net/11104/0331275 - 2.0507750 - ÚFCH JH 2020 HK eng A - Abstract
Záliš, Stanislav - Heyda, J. - Winkler, J. R. - Gray, H. B. - Šebesta, F. - Vlček, Antonín
Electron transfer through metallolabeled protein containing tryptophan units: Theoretical molecular dynemics study.
ISPPCC 2019. Book of Abstracts. Hong Kong: City University of Hong Kong, 2019. OL-17.
[International Symposium on the Photochemistry and Photophysics of Coordination Compounds /23./. 14.07.2019-19.07.2019, Hong Kong]
R&D Projects: GA ČR GA17-01137S; GA MŠMT(CZ) LTAUSA18026
Institutional support: RVO:61388955
Keywords : electron transfer * tryptophan units * molecular dynamics
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0298722 - 3.0484213 - ÚFCH JH 2018 CZ eng A - Abstract
Záliš, Stanislav - Heyda, J. - Pižl, Martin - Vlček, Antonín
Modelling of electron transfer in metal labelled proteins and systems containing multiple redox centers.
Modeling Interactions in Biomolecules VIII. Program & Book of Abstracts. Praha: Matfyspress, 2017. s. 46-46. ISBN 978-80-7378-348-8.
[Modeling Interactions in Biomolecules /8./. 03.09.2017-08.09.2017, Plzeň]
R&D Projects: GA MŠMT(CZ) LTC17052; GA ČR GA17-01137S
Institutional support: RVO:61388955
Keywords : electron transfer * metal labelled proteins * DFT
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0279350File Download Size Commentary Version Access 0484213.pdf 1 309.9 KB Publisher’s postprint require - 4.0468153 - ÚFCH JH 2017 HR eng A - Abstract
Záliš, Stanislav - Pižl, Martin - Heyda, J. - Vlček, Antonín
Modelling of spectral properties and electron transfer in Re, Ir and Pt organometallic complexes.
2nd MOLIM General Meeting. Book of Abstracts. Dubrovnik: COST, 2016. s. 19-19.
[MOLIM General Meeting /2./. 10.10.2016-12.10.2016, Dubrovnik]
R&D Projects: GA MŠMT LD14129
Grant - others:COST(XE) CM1405
Institutional support: RVO:61388955
Keywords : electron transfer * TD-DFT * ADF
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0266011