Search results
- 1.0583715 - BFÚ 2024 RIV US eng J - Journal Article
Gate, G. - Williams, A. - Boldissar, S. - Šponer, Jiří - Szabla, R. - de Vries, M. S.
The tautomer-specific excited state dynamics of 2,6-diaminopurine using resonance-enhanced multiphoton ionization and quantum chemical calculations.
Photochemistry and Photobiology. Roč. 2023, DEC 20 2023 (2023). ISSN 0031-8655. E-ISSN 1751-1097
R&D Projects: GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : ultrafast internal-conversion * nonradiative decay * ab-initio * radiationless deactivation * electronic relaxation * isolated adenine * 2-aminopurine * spectroscopy
OECD category: Biochemistry and molecular biology
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://onlinelibrary.wiley.com/doi/10.1111/php.13897
Permanent Link: https://hdl.handle.net/11104/0351709 - 2.0583702 - 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 - 3.0583648 - BFÚ 2024 RIV US eng J - Journal Article
Cassone, G. - Saija, F. - Šponer, Jiří - Shaik, S.
The Reactivity-Enhancing Role of Water Clusters in Ammonia Aqueous Solutions.
Journal of Physical Chemistry Letters. Roč. 14, č. 35 (2023), s. 7808-7813. ISSN 1948-7185
Institutional support: RVO:68081707
Keywords : electric-fields * catalysis
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 5.7, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acs.jpclett.3c01810
Permanent Link: https://hdl.handle.net/11104/0351670 - 4.0583260 - 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 - 5.0577299 - BFÚ 2024 RIV US eng J - Journal Article
Šponer, Judit E. - Kloužek, Jaroslav - Výravský, J. - Wunnava, S. - Scheu, B. - Braun, N. - Mojzsis, Stephen J. - Palacký, Jan - Vorlíčková, Michaela - Šponer, Jiří - Matyášek, Roman - Kovařík, Aleš
Influence of Silicate Rock Glass Compositions on the Efficacy of Prebiotic RNA Polymerization Reactions: The Case of 3',5' Cyclic Guanosine Monophosphate.
CHEMSYSTEMSCHEM. Roč. 5, č. 5 (2023). E-ISSN 2570-4206
R&D Projects: GA ČR(CZ) GA22-25057S
Institutional support: RVO:68081707 ; RVO:67985891
Keywords : oligomerization * prebiotic chemistry * oligonucleotides * rock glasses * basicity
OECD category: Analytical chemistry; Analytical chemistry (USMH-B)
Impact factor: 3.5, year: 2022
Method of publishing: Open access
https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/syst.202300016
Permanent Link: https://hdl.handle.net/11104/0346507 - 6.0576584 - BFÚ 2024 RIV US eng J - Journal Article
Šponer, Judit E. - Šponer, Jiří - Výravský, J. - Matyášek, Roman - Kovařík, Aleš - Dudziak, W. - Slepokura, K.
Crystallization as a selection force at the polymerization of nucleotides in a prebiotic context.
iScience. Roč. 26, č. 9 (2023), č. článku 107600. E-ISSN 2589-0042
R&D Projects: GA ČR(CZ) GA22-25057S
Institutional support: RVO:68081707
Keywords : 3′,5′cGMP * 3′,5′cCMP (free acid) readily crystallize from nucleotide mixtures * Crystallization could sequester 3′,5′cGMP * 3′,5′cCMP from the prebiotic soup * 3′,5′cCMP and 3′,5′cGMP phase-separate upon dry-wet cycling
OECD category: Organic chemistry
Impact factor: 5.8, year: 2022
Method of publishing: Open access
https://www.sciencedirect.com/science/article/pii/S2589004223016772?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0349241 - 7.0574950 - BFÚ 2024 RIV US eng J - Journal Article
Qiu, D. - Cheng, M. - Stadlbauer, Petr - Chen, J. - Langer, M. - Zhang, X. - Gao, Q. - Ju, H. - Šponer, Jiří - Mergny, Jean-Louis - Monchaud, D. - Zhou, J.
Topology of DNA G-Quadruplexes Can Be Harnessed in Holliday Junction-Based DNA Suprastructures to Control and Optimize Their Biocatalytic Properties.
ACS Catalysis. Roč. 13, č. 16 (2023), s. 10722-10733. ISSN 2155-5435. E-ISSN 2155-5435
R&D Projects: GA MŠMT EF15_003/0000477; GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : G-quadruplex * DNAzyme * Holliday junction * molecular dynamics simulations * catalytic mechanism
OECD category: Physical chemistry
Impact factor: 12.9, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acscatal.3c02818
Permanent Link: https://hdl.handle.net/11104/0349523 - 8.0574520 - BFÚ 2024 RIV US eng J - Journal Article
Love, O. - Galindo-Murillo, R. - Zgarbová, M. - Šponer, Jiří - Jurečka, P. - Cheatham III, T. E.
Assessing the Current State of Amber Force Field Modifications for DNA ,2023 Edition.
Journal of Chemical Theory and Computation. Roč. 19, č. 13 (2023), s. 4299-4307. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : MOLECULAR-DYNAMICS SIMULATIONS * PARTICLE MESH EWALD * NUCLEIC-ACIDS
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.3c00233
Permanent Link: https://hdl.handle.net/11104/0350087 - 9.0574517 - BFÚ 2024 RIV US eng J - Journal Article
Voegele, J. - Duchardt-Ferner, E. - Kruse, Holger - Zhang, Zhengyue - Šponer, Jiří - Krepl, Miroslav - Woehnert, J.
Structural and dynamic effects of pseudouridine modifications on noncanonical interactions in RNA.
RNA. Roč. 29, č. 6 (2023), s. 790-807. ISSN 1355-8382. E-ISSN 1469-9001
R&D Projects: GA ČR(CZ) GA23-05639S
Institutional support: RVO:68081707
Keywords : pseudouridine * RNA structure * U-turn * U base pair * nmr * MD simulations
OECD category: Biochemistry and molecular biology
Impact factor: 4.5, year: 2022
Method of publishing: Limited access
https://rnajournal.cshlp.org/content/29/6/790
Permanent Link: https://hdl.handle.net/11104/0350076 - 10.0574511 - BFÚ 2024 RIV US eng J - Journal Article
Stadlbauer, Petr - Mlýnský, Vojtech - Krepl, Miroslav - Šponer, Jiří
Complexity of Guanine Quadruplex Unfolding Pathways Revealed by Atomistic Pulling Simulations.
Journal of Chemical Information and Modeling. Roč. 63, č. 15 (2023), s. 4716-4731. ISSN 1549-9596. E-ISSN 1549-960X
R&D Projects: GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : TELOMERIC G-QUADRUPLEX * DNA G-QUADRUPLEXES * MOLECULAR-DYNAMICS
OECD category: Biochemistry and molecular biology
Impact factor: 5.6, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acs.jcim.3c00171
Permanent Link: https://hdl.handle.net/11104/0350040