Search results
- 1.0486054 - BFÚ 2018 RIV US eng J - Journal Article
Mlýnský, V. - Kührová, P. - Jurečka, P. - Šponer, Jiří - Otyepka, M. - Banáš, Pavel
Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis.
Journal of Physical Chemistry B. Roč. 121, č. 48 (2017), s. 10828-10840. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GAP208/12/1878
Institutional support: RVO:68081707
Keywords : delta-virus ribozyme * self-cleaving ribozymes
OECD category: Physical chemistry
Impact factor: 3.146, year: 2017
Permanent Link: http://hdl.handle.net/11104/0280942 - 2.0446310 - BFÚ 2016 RIV US eng J - Journal Article
Mlýnský, V. - Kuehrova, P. - Zgarbová, M. - Jurečka, P. - Walter, Nils G. - Otyepka, M. - Šponer, Jiří - Banáš, Pavel
Reactive Conformation of the Active Site in the Hairpin Ribozyme Achieved by Molecular Dynamics Simulations with epsilon/zeta Force Field Reparametrizations.
Journal of Physical Chemistry B. Roč. 119, č. 11 (2015), s. 4220-4229. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GAP208/12/1878
Institutional support: RVO:68081707
Keywords : ACID-BASE CATALYSIS * NUCLEIC-ACIDS * RNA CATALYSIS
Subject RIV: BO - Biophysics
Impact factor: 3.187, year: 2015
Permanent Link: http://hdl.handle.net/11104/0248296 - 3.0442423 - BFÚ 2015 RIV GB eng J - Journal Article
Mlýnský, V. - Walter, Nils G. - Šponer, Jiří - Otyepka, Michal - Banáš, Pavel
The role of an active site Mg2+ in HDV ribozyme self-cleavage: insights from QM/MM calculations.
Physical Chemistry Chemical Physics. Roč. 17, č. 1 (2015), s. 670-679. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GAP208/12/1878
Institutional support: RVO:68081707
Keywords : HEPATITIS-DELTA-VIRUS * MOLECULAR-DYNAMICS SIMULATIONS * 2'-HYDROXYL GROUP
Subject RIV: BO - Biophysics
Impact factor: 4.449, year: 2015
Permanent Link: http://hdl.handle.net/11104/0245238 - 4.0440900 - 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 - 5.0428665 - BFÚ 2015 US eng J - Journal Article
Mlýnský, V. - Banáš, P. - Šponer, Jiří - van der Kamp, M.W. - Mulholland, A.J. - Otyepka, M.
Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme.
Journal of Chemical Theory and Computation. Roč. 10, č. 4 (2014), s. 1608-1622. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GBP301/11/P558; GA MŠMT(CZ) ED1.1.00/02.0068
Institutional support: RVO:68081707
Keywords : MOLECULAR-DYNAMICS SIMULATIONS * DELTA-VIRUS RIBOZYME * ACID-BASE CATALYSIS
Subject RIV: BO - Biophysics
Impact factor: 5.498, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233987 - 6.0373416 - 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 - 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