Search results
- 1.0583702 - BFÚ 2024 RIV US eng J - Journal Article
Coulon, Rémi - Papoušková, B. - Mohammadi, E. - Otyepka, M. - Wunnava, S. - Šponer, Jiří - Šponer, Judit E.
Prebiotic Synthesis of 3',5'-Cyclic Adenosine and Guanosine Monophosphates through Carbodiimide-Assisted Cyclization.
Chembiochem. Roč. 24, č. 24 (2023). ISSN 1439-4227. E-ISSN 1439-7633
R&D Projects: GA ČR(CZ) GA22-25057S
Institutional support: RVO:68081707
Keywords : formamide * phosphorylation * nucleosides * 1st * cyclization * formamide * nucleotides * prebiotic chemistry * rna
OECD category: Biochemistry and molecular biology
Impact factor: 3.2, year: 2022
Method of publishing: Open access
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cbic.202300510
Permanent Link: https://hdl.handle.net/11104/0351698 - 2.0583260 - 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 - 3.0575035 - ÚMCH 2024 RIV US eng J - Journal Article
Zdražil, L. - Baďura, Z. - Langer, M. - Kalytchuk, S. - Panáček, D. - Scheibe, M. - Kment, Š. - Kmentová, H. - Thottappali, Muhammed Arshad - Mohammadi, E. - Medveď, M. - Bakandritsos, A. - Zoppellaro, G. - Zbořil, R. - Otyepka, M.
Magnetic polaron states in photoluminescent carbon dots enable hydrogen peroxide photoproduction.
Small. Roč. 19, č. 32 (2023), č. článku 2206587. ISSN 1613-6810. E-ISSN 1613-6829
R&D Projects: GA ČR(CZ) GA22-02005S
Institutional support: RVO:61389013
Keywords : carbon dots * density functional theory * high spin species
OECD category: Materials engineering
Impact factor: 13.3, year: 2022
Method of publishing: Open access
https://onlinelibrary.wiley.com/doi/10.1002/smll.202206587
Permanent Link: https://hdl.handle.net/11104/0345062 - 4.0573682 - ÚOCHB 2024 RIV US eng J - Journal Article
Lo, Rabindranath - Pykal, M. - Schneemann, A. - Zbořil, R. - Fischer, R. A. - Jayaramulu, K. - Otyepka, M.
Lewis Acid Catalyzed Amide Bond Formation in Covalent Graphene-MOF Hybrids.
Journal of Physical Chemistry C. Roč. 127, č. 31 (2023), s. 15454-15460. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GX19-27454X
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : nonactivated carboxylic acids * metal-organic frameworks * adsorption isotherms
OECD category: Inorganic and nuclear chemistry
Impact factor: 3.7, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.jpcc.3c01821
Permanent Link: https://hdl.handle.net/11104/0344060 - 5.0571531 - BFÚ 2024 RIV US eng J - Journal Article
Kührová, P. - Mlýnský, Vojtech - Otyepka, M. - Šponer, Jiří - Banáš, P.
Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes.
Journal of Chemical Information and Modeling. Roč. 63, č. 7 (2023), s. 2133-2146. ISSN 1549-9596. E-ISSN 1549-960X
R&D Projects: GA ČR(CZ) GA23-05639S
Institutional support: RVO:68081707
Keywords : AMBER FORCE-FIELD * NUCLEIC-ACIDS * CATION-BINDING
OECD category: Analytical chemistry
Impact factor: 5.6, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acs.jcim.2c01438
Permanent Link: https://hdl.handle.net/11104/0346082 - 6.0569260 - BFÚ 2023 RIV DE eng J - Journal Article
Paloncyova, M. - Pykal, M. - Kührová, P. - Banáš, P. - Šponer, Jiří - Otyepka, M.
Computer Aided Development of Nucleic Acid Applications in Nanotechnologies.
Small. Roč. 18, č. 49 (2022). ISSN 1613-6810. E-ISSN 1613-6829
R&D Projects: GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : biosensors * force fields * lipid nanoparticles * MD simulations * nucleic acids * nucleic acid templated assemblies
OECD category: Coating and films
Impact factor: 13.3, year: 2022
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/10.1002/smll.202204408
Permanent Link: https://hdl.handle.net/11104/0340647 - 7.0557417 - BFÚ 2023 RIV US eng J - Journal Article
Mlýnský, Vojtech - Janecek, M. - Kührová, Petra - Frohlking, T. - Otyepka, M. - Bussi, G. - Banáš, Pavel - Šponer, Jiří
Toward Convergence in Folding Simulations of RNA Tetraloops : Comparison of Enhanced Sampling Techniques and Effects of Force Field Modifications br.
Journal of Chemical Theory and Computation. Roč. 18, č. 4 (2022), s. 2642-2656. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA MŠMT EF15_003/0000477; GA ČR(CZ) GA20-16554S
Institutional support: RVO:68081707
Keywords : free-energy landscape * molecular-dynamics * replica-exchange * tertiary interactions * parameters * hairpins
OECD category: Organic chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jctc.1c01222
Permanent Link: https://hdl.handle.net/11104/0339585 - 8.0549103 - FZÚ 2022 RIV US eng J - Journal Article
Mallada Faes, Benjamin Jose - Błoński, P. - Langer, R. - Jelínek, Pavel - Otyepka, M. - De La Torre Cerdeño, Bruno
On-surface synthesis of one-dimensional coordination polymers with tailored magnetic anisotropy.
ACS Applied Materials and Interfaces. Roč. 13, č. 27 (2021), s. 32393-32401. ISSN 1944-8244. E-ISSN 1944-8252
R&D Projects: GA ČR(CZ) GX20-13692X
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : nc-AFM * on surface chemistry * polymers
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 10.383, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acsami.1c04693
Permanent Link: http://hdl.handle.net/11104/0325127 - 9.0541026 - ÚEB 2022 RIV CZ eng J - Journal Article
Spicakova, A. - Kraus, Petr - Gucký, Tomáš - Kryštof, Vladimír - Strnad, Miroslav - Bazgier, V. - Otyepka, M. - Kubickova, V. - Poruba, M. - Rácová, Z. - Zapletalová, I. - Anzenbacher, P.
in vitro and in silico Studies of Interaction of Synthetic 2,6,9-Trisubstituted Purine Kinase Inhibitors BPA-302, BP-21 and BP-117 With Liver Drug-Metabolizing Cytochromes P450.
Physiological Research. Roč. 69, SEP (2020), s. 627-636. ISSN 0862-8408. E-ISSN 1802-9973
R&D Projects: GA MZd(CZ) NV17-28231A
Institutional support: RVO:61389030
Keywords : r-roscovitine * cell-cycle * cancer * series * Cytochrome P450 inhibition * High performance liquid chromatography * Cyclin-dependent kinase inhibitor * FLT3-ITD inhibitor * Drug metabolism
OECD category: Organic chemistry
Impact factor: 1.881, year: 2020
Method of publishing: Open access
https://www.biomed.cas.cz/physiolres/pdf/2020/69_S627.pdf
Permanent Link: http://hdl.handle.net/11104/0318600File Download Size Commentary Version Access 2020_Spicakova_Physiological Research_S627.pdf 1 2.5 MB Other open-access - 10.0540045 - ÚFP 2021 RIV DE eng J - Journal Article
Mohammadi, E. - Petera, L. - Saeidfirozeh, H. - Knížek, A. - Kubelík, P. - Dudžák, Roman - Krůs, Miroslav - Juha, Libor - Civiš, S. - Coulon, R. - Malina, O. - Ugolotti, J. - Ranc, V. - Otyepka, M. - Šponer, J. - Ferus, M. - Šponer, J.E.
Formic Acid, a Ubiquitous but Overlooked Component of the Early Earth Atmosphere.
Chemistry - A European Journal. Roč. 26, č. 52 (2020), s. 12075-12080. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR GA19-03314S; GA MŠMT(CZ) LM2015083; GA MŠMT LTT17015
EU Projects: European Commission(XE) 654148 - LASERLAB-EUROPE
Institutional support: RVO:61389021
Keywords : CO reduction 2 * formic acid * hydrothermal synthesis * laser chemistry * prebiotic synthesis
OECD category: Biophysics
Impact factor: 5.236, year: 2020
Method of publishing: Limited access
https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202000323
Permanent Link: http://hdl.handle.net/11104/0317714