Search results
- 1.0511789 - BFÚ 2020 RIV GB eng J - Journal Article
Suddala, K.C. - Price, I.R. - Dandpat, S.S. - Janeček, Michal - Kührová, P. - Šponer, Jiří - Banáš, Pavel - Ke, A. - Walter, N.G.
Local-to-global signal transduction at the core of a Mn2+ sensing riboswitch.
Nature Communications. Roč. 10, SEP 20 2019 (2019), č. článku 4304. E-ISSN 2041-1723
R&D Projects: GA MŠMT EF15_003/0000477
Institutional support: RVO:68081707
Keywords : molecular-dynamics * eubacteria sense * rna structure * single
OECD category: Biology (theoretical, mathematical, thermal, cryobiology, biological rhythm), Evolutionary biology
Impact factor: 12.121, year: 2019
Method of publishing: Open access
https://www.nature.com/articles/s41467-019-12230-5.pdf
Permanent Link: http://hdl.handle.net/11104/0302037 - 2.0440900 - BFÚ 2015 RIV US eng J - Journal Article
Mlýnský, V. - Banáš, P. - Walter, N.G. - Šponer, Jiří - Otyepka, M.
QM/MM Studies of Hairpin Ribozyme Self-Cleavage Suggest the Feasibility of Multiple Competing Reaction Mechanisms.
Journal of Physical Chemistry B. Roč. 115, č. 47 (2011), s. 13911-13924. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GAP208/10/2302; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822
Institutional research plan: CEZ:AV0Z50040702
Institutional support: RVO:68081707
Keywords : TRANSITION-STATE STABILIZATION * BASE-PHOSPHATE INTERACTIONS * DENSITY-FUNCTIONAL THEORY
Subject RIV: BO - Biophysics
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0244011 - 3.0373421 - BFÚ 2012 RIV US eng J - Journal Article
Banáš, P. - Walter, N.G. - Šponer, Jiří - Otyepka, M.
Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics.
Journal of Physical Chemistry B. Roč. 114, č. 26 (2010), s. 8701-8712. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LC06030; GA ČR(CZ) GA203/09/1476; GA MŠMT(CZ) GD203/09/H046
Keywords : riboswitch * ribozyme * RNA structure * molecular dynamics simulations
Subject RIV: BO - Biophysics
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006883 - 4.0373416 - BFÚ 2012 RIV US eng J - Journal Article
Mlýnský, V. - Banáš, P. - Hollas, D. - Réblová, Kamila - Walter, N.G. - Šponer, Jiří - Otyepka, M.
Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme.
Journal of Physical Chemistry B. Roč. 114, č. 19 (2010), s. 6642-6652. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LC06030; GA MŠMT(CZ) GD203/09/H046
Keywords : molecular dynamics simulations * hairpin ribozyme
Subject RIV: BO - Biophysics
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006880 - 5.0373411 - BFÚ 2012 RIV US eng J - Journal Article
Ditzler, M.A. - Otyepka, M. - Šponer, Jiří - Walter, N.G.
Molecular dynamics and quantum mechanics of RNA: Conformational and chemical change we can believe in.
Accounts of Chemical Research. Roč. 43, č. 1 (2010), s. 40-47. ISSN 0001-4842. E-ISSN 1520-4898
R&D Projects: GA MŠMT(CZ) LC06030; GA ČR(CZ) GA203/09/1476
Keywords : molecular dynamics * quantum chemistry * RNA
Subject RIV: BO - Biophysics
Impact factor: 21.840, year: 2010
Permanent Link: http://hdl.handle.net/11104/0206518 - 6.0347709 - BFÚ 2011 RIV US eng J - Journal Article
Banáš, P. - Walter, N.G. - Šponer, Jiří - Otyepka, M.
Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics.
Journal of Physical Chemistry B. Roč. 114, č. 26 (2010), s. 8701-8712. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LC06030; GA ČR(CZ) GA203/09/1476; GA MŠMT(CZ) GD203/09/H046; GA AV ČR(CZ) IAA400040802; GA AV ČR(CZ) 1QS500040581
Grant - others:GA MŠk(CZ) LC512
Program: LC
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : riboswitch * ribozyme * RNA structure * molecular dynamics simulations
Subject RIV: BO - Biophysics
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006029 - 7.0345016 - BFÚ 2011 RIV US eng J - Journal Article
Mlýnský, V. - Banáš, P. - Hollas, D. - Réblová, Kamila - Walter, N.G. - Šponer, Jiří - Otyepka, M.
Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme.
Journal of Physical Chemistry B. Roč. 114, č. 19 (2010), s. 6642-6652. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LC06030; GA ČR(CZ) GA203/09/1476; GA MŠMT(CZ) GD203/09/H046; GA AV ČR(CZ) IAA400040802; GA AV ČR(CZ) KJB400040901; GA AV ČR(CZ) 1QS500040581
Grant - others:GA MŠk(CZ) LC512
Program: LC
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : molecular dynamics simulations * hairpin ribozyme
Subject RIV: BO - Biophysics
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005937 - 8.0343781 - BFÚ 2011 RIV GB eng J - Journal Article
Krasovská, Maryna V. - Šefčíková, J. - Špačková, Naďa - Šponer, Jiří - Walter, N.G.
Structural dynamics of precursor and product of the RNA enzyme from the hepatitis delta virus as revealed by molecular dynamics simulations.
Journal of Molecular Biology. Roč. 351, č. 4 (2005), s. 731-748. ISSN 0022-2836. E-ISSN 1089-8638
Grant - others:GA ČR(CZ) GA203/05/0009
Program: GA
Institutional research plan: CEZ:AV0Z50040507
Keywords : HDV ribozyme * ribozyme self-cleavage * nucleic acids
Subject RIV: BO - Biophysics
Impact factor: 5.229, year: 2005
Permanent Link: http://hdl.handle.net/11104/0186174 - 9.0340136 - BFÚ 2010 RIV US eng J - Journal Article
Ditzler, M.A. - Otyepka, M. - Šponer, Jiří - Walter, N.G.
Molecular dynamics and quantum mechanics of RNA: Conformational and chemical change we can believe in.
Accounts of Chemical Research. Roč. 43, č. 1 (2010), s. 40-47. ISSN 0001-4842. E-ISSN 1520-4898
R&D Projects: GA AV ČR(CZ) IAA400040802; GA MŠMT(CZ) LC06030; GA ČR(CZ) GA203/09/1476
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : molecular dynamics * quantum chemistry * RNA
Subject RIV: BO - Biophysics
Impact factor: 21.840, year: 2010
Permanent Link: http://hdl.handle.net/11104/0183442 - 10.0323266 - BFÚ 2009 RIV US eng J - Journal Article
Ditzler, M.A. - Šponer, Jiří - Walter, N.G.
Molecular dynamics suggest multifunctionality of an adenine imino group in acid-base catalysis of the hairpin ribozyme.
[Molekulová dynamika ukazuje na multifunkčnost imino skupiny adeninu v katalýze kyselé báze hairpin ribozymu.]
RNA. Roč. 15, č. 4 (2009), s. 560-575. ISSN 1355-8382. E-ISSN 1469-9001
R&D Projects: GA AV ČR(CZ) IAA400040802
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : molecular dynamics * ribozyme * catalytic mechanism
Subject RIV: BO - Biophysics
Impact factor: 5.198, year: 2009
Permanent Link: http://hdl.handle.net/11104/0171274