Search results
- 1.0438291 - ÚOCHB 2015 RIV GB eng J - Journal Article
Vymětal, Jiří - Bathula, S. R. - Černý, Jiří - Chaloupková, R. - Žídek, L. - Sklenář, V. - Vondrášek, Jiří
Retro operation on the Trp-cage miniprotein sequence produces an unstructured molecule capable of folding similar to the original only upon 2,2,2-trifluoroethanol addition.
Protein Engineering Design and Selection. Roč. 27, č. 12 (2014), s. 463-472. ISSN 1741-0126. E-ISSN 1741-0134
R&D Projects: GA MŠMT(CZ) LH11020; GA ČR GA203/08/0114
Grant - others:GA MŠk(CZ) LO1214; GA MŠk(CZ) LM2010005; GA MŠk(CZ) ED1.1.00/02.0068
Program: ED
Institutional support: RVO:61388963 ; RVO:86652036
Keywords : protein folding * protein-structure prediction * molecular dynamics * NMR methods * CD spectroscopy
Subject RIV: CE - Biochemistry
Impact factor: 2.537, year: 2014
Permanent Link: http://hdl.handle.net/11104/0241840 - 2.0392431 - ÚVGZ 2014 RIV DE eng J - Journal Article
Stěpánková, V. - Khabiri, Morteza - Březovský, J. - Pavelka, A. - Sýkora, Jan - Amaro, Mariana - Minofar, Babak - Prokop, Z. - Hof, Martin - Ettrich, Rüdiger - Chaloupková, R. - Damborský, J.
Expansion of Access Tunnels and Active-Site Cavities Influence Activity of Haloalkane Dehalogenases in Organic Cosolvents.
Chembiochem. Roč. 14, č. 7 (2013), s. 890-897. ISSN 1439-4227. E-ISSN 1439-7633
R&D Projects: GA ČR GA203/08/0114
Institutional support: RVO:67179843 ; RVO:61388955
Keywords : enzyme catalysis * enzyme structure * haloalkane dehalogenases * molecular dynamics * organic cosolvents
Subject RIV: BO - Biophysics; CF - Physical ; Theoretical Chemistry (UFCH-W)
Impact factor: 3.060, year: 2013
Permanent Link: http://hdl.handle.net/11104/0221303 - 3.0385746 - ÚOCHB 2013 RIV US eng J - Journal Article
Pluhařová, Eva - Ončák, M. - Seidel, R. - Schroeder, C. - Schroeder, W. - Winter, B. - Bradforth, S. E. - Jungwirth, Pavel - Slavíček, P.
Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water.
Journal of Physical Chemistry B. Roč. 116, č. 44 (2012), s. 13254-13264. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GAP208/10/1724; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : multiply-charged anions * ab-initio calculations * aqueous-solution * photoelectron-spectroscopy * ionization energies * emission-spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007506 - 4.0384410 - ÚFCH JH 2013 RIV US eng J - Journal Article
Jagoda-Cwiklik, B. - Cwiklik, Lukasz - Jungwirth, P.
Behavior of the Eigen Form of Hydronium at the Air/Water Interface.
Journal of Physical Chemistry A. Roč. 115, č. 23 (2011), s. 5881-5886. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40400503
Keywords : hydronium * air/water interface * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0007255 - 5.0379077 - ÚOCHB 2013 RIV US eng J - Journal Article
Mason, Philip E. - Wernersson, Erik - Jungwirth, Pavel
Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering.
Journal of Physical Chemistry B. Roč. 116, č. 28 (2012), s. 8145-8153. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : neutron scattering * molecular dynamics * carbonate
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007100 - 6.0379006 - ÚOCHB 2013 RIV US eng J - Journal Article
Vazdar, Mario - Uhlig, Frank - Jungwirth, Pavel
Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations.
Journal of Physical Chemistry Letters. Roč. 3, č. 15 (2012), s. 2021-2024. ISSN 1948-7185
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : guanidinium * ion pairing * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.585, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210294 - 7.0378708 - ÚOCHB 2013 RIV US eng J - Journal Article
Vazdar, Mario - Jurkiewicz, Piotr - Hof, Martin - Jungwirth, Pavel - Cwiklik, Lukasz
Behavior of 4-Hydroxynonenal in Phospholipid Membranes.
Journal of Physical Chemistry B. Roč. 116, č. 22 (2012), s. 6411-6415. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0114; GA ČR GAP208/10/0376; GA MŠMT LH12001; GA AV ČR GEMEM/09/E006
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : fluorescence spectroscopy * molecular dynamics * membranes * 4-hydroxynonenal
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007036 - 8.0377908 - ÚOCHB 2013 RIV US eng J - Journal Article
Rembert, K. B. - Paterová, Jana - Heyda, Jan - Hilty, Ch. - Jungwirth, Pavel - Cremer, P. S.
Molecular Mechanisms of Ion-Specific Effects on Proteins.
Journal of the American Chemical Society. Roč. 134, č. 24 (2012), s. 10039-10046. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : ions * proteins * molecular dynamics * NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 10.677, year: 2012
Permanent Link: http://hdl.handle.net/11104/0209933 - 9.0376685 - ÚOCHB 2013 RIV US eng J - Journal Article
Kubíčková, A. - Křížek, T. - Coufal, P. - Vazdar, Mario - Wernersson, Erik - Heyda, J. - Jungwirth, Pavel
Overcharging in Biological Systems: Reversal of Electrophoretic Mobility of Aqueous Polyaspartate by Multivalent Cations.
Physical Review Letters. Roč. 108, č. 18 (2012), 186101/1-186101/4. ISSN 0031-9007. E-ISSN 1079-7114
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : charge reversal * electrophoresis * molecular dynamics * polyaspartate * lanthanum
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 7.943, year: 2012
Permanent Link: http://hdl.handle.net/11104/0209025 - 10.0376619 - ÚOCHB 2013 RIV DE eng J - Journal Article
Wernersson, Erik - Heyda, Jan - Kubíčková, A. - Křížek, T. - Coufal, P. - Jungwirth, Pavel
Counterion condensation in short cationic peptides: Limiting mobilities beyond the Onsager–Fuoss theory.
Electrophoresis. Roč. 33, č. 6 (2012), s. 981-989. ISSN 0173-0835. E-ISSN 1522-2683
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : background electrolyte effects * counterion condensation * ion-pairing * limiting mobility * molecular modeling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.261, year: 2012
Permanent Link: http://hdl.handle.net/11104/0208974