Search results
- 1.0585306 - ÚT 2025 RIV GB eng J - Journal Article
Varillas, Javier - Lukeš, J. - Manikas, A. - Maňák, J. - Dluhoš, J. - Melníková, Z. - Kalbáč, M. - Galiotis, C. - Frank, O.
Mechanical response of monolayer graphene via a multi-probe approach.
International Journal of Mechanical Sciences. Roč. 273, July (2024), č. článku 109208. ISSN 0020-7403. E-ISSN 1879-2162
Institutional support: RVO:61388998
Keywords : defects * elastic properties * graphene * molecular dynamics * push-to-pull * Raman spectroscopy * scanning electron microscopy
OECD category: Materials engineering; Physical chemistry (UFCH-W)
Impact factor: 7.3, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0020740324002509?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0353230 - 2.0585129 - FZÚ 2025 RIV US eng J - Journal Article
Medvedev, Nikita
Electronic nonequilibrium effect in ultrafast-laser-irradiated solids.
Physica Scripta. Roč. 99, č. 1 (2024), č. článku 015934. ISSN 0031-8949. E-ISSN 1402-4896
R&D Projects: GA MŠMT LTT17015; GA MŠMT(CZ) LM2023068; GA MŠMT(CZ) EF18_053/0016627
Grant - others:OP VVV - Mobility FZU 2(XE) CZ.02.2.69/0.0/0.0/18_053/0016627
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : hybrid model * multiscale model * Monte Carlo * Boltzmann equation * tight binding * molecular dynamics * noneuqilibrium kinetics
OECD category: Optics (including laser optics and quantum optics)
Impact factor: 2.9, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0352862File Download Size Commentary Version Access 0585129.pdf 0 2.5 MB CC Licence Publisher’s postprint open-access - 3.0584828 - MBÚ 2025 RIV US eng J - Journal Article
Felčíková, K. - Hovan, A. - Polák, Marek - Loginov, Dmitry Sergej - Holotová, V. - Diaz, C. - Kožář, T. - Lee, O. - Varhač, R. - Novák, Petr - Bánó, G. - Sedlák, E.
Design of AsLOV2 domain as a carrier of light-induced dissociable FMN photosensitizer.
Protein Science. Roč. 33, č. 4 (2024), č. článku e4921. ISSN 0961-8368. E-ISSN 1469-896X
EU Projects: European Commission(XE) 731077 - EU_FT-ICR_MS
Research Infrastructure: CIISB II - 90127
Institutional support: RVO:61388971
Keywords : singlet oxygen generation * molecular-dynamics * rational design * simulation * efficient * ewald * flavin cofactor * genetically encoded photosensitizers * LOV2 domain * miniSOG * singlet oxygen
OECD category: Microbiology
Impact factor: 8, year: 2022
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/epdf/10.1002/pro.4921
Permanent Link: https://hdl.handle.net/11104/0352674 - 4.0584311 - FZÚ 2024 RIV US eng C - Conference Paper (international conference)
Medvedev, Nikita
Materials under XUV irradiation: effects of structure, size, and temperature.
Proceedings of SPIE - The International Society for Optical Engineering. Vol. 12578. Bellingham: SPIE, 2023, č. článku 1257809. ISBN 9781510662766. ISSN 0277-786X.
[Conference on Optics Damage and Materials Processing by EUV/X-ray Radiation VIII (XDam8). Prague (CZ), 24.04.2023-26.04.2023]
R&D Projects: GA MŠMT LTT17015; GA MŠMT(CZ) LM2018114
Institutional support: RVO:68378271
Keywords : XTANT-3 * tight binding molecular dynamics * Monte Carlo * Boltzmann equation
OECD category: Optics (including laser optics and quantum optics)
https://www.spiedigitallibrary.org/conference-proceedings-of-spie/12578/2664746/Materials-under-XUV-irradiation--effects-of-structure-size-and/10.1117/12.2664746.short
Permanent Link: https://hdl.handle.net/11104/0352241 - 5.0584212 - ÚFP 2024 RIV US eng C - Conference Paper (international conference)
Medvedev, Nikita
Materials under XUV irradiation: effects of structure, size, and temperature.
Proceedings of SPIE - The International Society for Optical Engineering. Vol. 12578. Bellingham: SPIE, 2023, Roč. 12578 (2023), č. článku 1257809. ISBN 9781510662766. ISSN 0277-786X.
[Conference on Optics Damage and Materials Processing by EUV/X-ray Radiation VIII (XDam8). Prague (CZ), 24.04.2023-26.04.2023]
R&D Projects: GA MŠMT EF16_013/0001552; GA MŠMT(CZ) LM2018114; GA MŠMT LTT17015
Institutional support: RVO:61389021
Keywords : Boltzmann equation * Monte Carlo * tight binding molecular dynamics * xtant-3
OECD category: Optics (including laser optics and quantum optics)
https://www.spiedigitallibrary.org/conference-proceedings-of-spie/12578/2664746/Materials-under-XUV-irradiation--effects-of-structure-size-and/10.1117/12.2664746.short
Permanent Link: https://hdl.handle.net/11104/0352180 - 6.0584105 - FZÚ 2024 RIV DE eng J - Journal Article
Rymzhanov, R.A. - Medvedev, Nikita - Volkov, A.E.
Velocity effect in swift heavy ion irradiation: how the low- and high-energy track formation thresholds meet.
Journal of Materials Science. Roč. 58, č. 35 (2023), s. 14072-14079. ISSN 0022-2461. E-ISSN 1573-4803
R&D Projects: GA MŠMT LTT17015; GA MŠMT(CZ) LM2018114; GA MŠMT(CZ) EF18_053/0016627
Institutional support: RVO:68378271
Keywords : computation and theory * swift heavy ion irradiation * multiscale approach applied combining TREKIS-3 code with classical molecular dynamics tracing
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 4.5, year: 2022
Method of publishing: Limited access
https://doi.org/10.1007/s10853-023-08898-2
Permanent Link: https://hdl.handle.net/11104/0352173 - 7.0583312 - ÚT 2024 RIV US eng J - Journal Article
Gastaldo, M. - Varillas, Javier - Rodriguez, A. - Velický, M. - Frank, O. - Kalbáč, M.
Tunable strain and bandgap in subcritical-sized MoS2 nanobubbles.
NPJ 2D MATER APPL. Roč. 7, č. 1 (2023), č. článku 71. E-ISSN 2397-7132
R&D Projects: GA ČR(CZ) GA22-04408S; GA ČR(CZ) GX20-08633X
Institutional support: RVO:61388998
Keywords : energy gap * molecular dynamics * Layered semiconductors
OECD category: Materials engineering
Impact factor: 9.7, year: 2022
Method of publishing: Open access
https://www.nature.com/articles/s41699-023-00432-x
Permanent Link: https://hdl.handle.net/11104/0351303 - 8.0583286 - ÚOCHB 2025 RIV NL eng J - Journal Article
Khaleel, E. F. - Sabt, A. - Korycka-Machala, M. - Badi, R. M. - Son, N. T. - Ha, N. X. - Hamissa, Mohamed Farouk - Elsawi, A. E. - Elkaeed, E. B. - Dziadek, B. - Eldehna, W. M. - Dziadek, J.
Identification of new anti-mycobacterial agents based on quinoline-isatin hybrids targeting enoyl acyl carrier protein reductase (InhA).
Bioorganic Chemistry. Roč. 144, March (2024), č. článku 107138. ISSN 0045-2068. E-ISSN 1090-2120
Institutional support: RVO:61388963
Keywords : biological activities * mycobacterium tuberculosis * InhA inhibitors * molecular docking * molecular dynamics Simulation
Impact factor: 5.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.bioorg.2024.107138
Permanent Link: https://hdl.handle.net/11104/0351289 - 9.0583260 - BFÚ 2024 RIV US eng J - Journal Article
Mlýnský, Vojtech - Kührová, Petra - Stadlbauer, Petr - Krepl, Miroslav - Otyepka, M. - Banáš, Pavel - Šponer, Jiří
Simple Adjustment of Intranucleotide Base-Phosphate Interaction in the OL3 AMBER Force Field Improves RNA Simulations.
Journal of Chemical Theory and Computation. Roč. 19, č. 22 (2023), s. 8423-8433. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA23-05639S
Institutional support: RVO:68081707
Keywords : molecular-dynamics simulations * replica exchange * parameters * tetraloops * uucg * nmr * resolution
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 5.5, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acs.jctc.3c00990
Permanent Link: https://hdl.handle.net/11104/0351262 - 10.0583028 - MBÚ 2024 RIV US eng J - Journal Article
Wan, J. - Nytka, M. - Qian, H. - Vu, K. - Lemr, Karel - Tureček, F.
Nitrile Imines as Peptide and Oligonucleotide Photo-Cross-Linkers in Gas-Phase Ions.
Journal of the American Society for Mass Spectrometry. Roč. 35, č. 2 (2024), s. 344-356. ISSN 1044-0305. E-ISSN 1879-1123
Institutional support: RVO:61388971
Keywords : 1,3-dipolar cycloaddition * noncovalent interactions * molecular-dynamics * bond formation * linking * dispersion * complexes * efficient * charges * binding
OECD category: Microbiology
Impact factor: 3.2, year: 2022
Method of publishing: Limited access
https://pubs.acs.org/doi/epdf/10.1021/jasms.3c00379
Permanent Link: https://hdl.handle.net/11104/0351649