Mario Vazdar
Mario Vazdar
Assistant Professor, University of Chemistry and Technology, Prague, Czech Republic
Potvrđena adresa e-pošte na
The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems
M Barbatti, G Granucci, M Persico, M Ruckenbauer, M Vazdar, ...
Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 228-240, 2007
Arginine “magic”: Guanidinium like-charge ion pairing from aqueous salts to cell penetrating peptides
M Vazdar, J Heyda, PE Mason, G Tesei, C Allolio, M Lund, P Jungwirth
Accounts of chemical research 51 (6), 1455-1464, 2018
The nonadiabatic deactivation paths of pyrrole
M Barbatti, M Vazdar, AJA Aquino, M Eckert-Maksić, H Lischka
The Journal of chemical physics 125 (16), 2006
Automerization reaction of cyclobutadiene and its barrier height: An ab initio benchmark multireference average-quadratic coupled cluster study
M Eckert-Maksić, M Vazdar, M Barbatti, H Lischka, ZB Maksić
The Journal of chemical physics 125 (6), 2006
Ions at hydrophobic aqueous interfaces: Molecular dynamics with effective polarization
M Vazdar, E Pluharova, PE Mason, R Vácha, P Jungwirth
The Journal of Physical Chemistry Letters 3 (15), 2087-2091, 2012
Polyarginine interacts more strongly and cooperatively than polylysine with phospholipid bilayers
AD Robison, S Sun, MF Poyton, GA Johnson, JP Pellois, P Jungwirth, ...
The Journal of Physical Chemistry B 120 (35), 9287-9296, 2016
Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols
W Kulig, A Olżyńska, P Jurkiewicz, AM Kantola, S Komulainen, M Manna, ...
Free radical biology and medicine 84, 30-41, 2015
A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface
L Artiglia, J Edebeli, F Orlando, S Chen, MT Lee, P Corral Arroyo, ...
Nature Communications 8 (1), 700, 2017
Excited-state non-adiabatic dynamics simulations of pyrrole
M Vazdar, M Eckert-Maksić, M Barbatti, H Lischka
Molecular Physics 107 (8-12), 845-854, 2009
Mechanism of long-chain free fatty acid protonation at the membrane-water interface
AA Pashkovskaya, M Vazdar, L Zimmermann, O Jovanovic, P Pohl, ...
Biophysical Journal 114 (9), 2142-2151, 2018
Overcharging in biological systems: reversal of electrophoretic mobility of aqueous polyaspartate by multivalent cations
A Kubíčková, T Křížek, P Coufal, M Vazdar, E Wernersson, J Heyda, ...
Physical review letters 108 (18), 186101, 2012
Like-charge ion pairing in water: An ab initio molecular dynamics study of aqueous guanidinium cations
M Vazdar, F Uhlig, P Jungwirth
The Journal of Physical Chemistry Letters 3 (15), 2021-2024, 2012
Self-association of a highly charged arginine-rich cell-penetrating peptide
G Tesei, M Vazdar, MR Jensen, C Cragnell, PE Mason, J Heyda, M Skepö, ...
Proceedings of the National Academy of Sciences 114 (43), 11428-11433, 2017
Like-charge guanidinium pairing from molecular dynamics and ab initio calculations
M Vazdar, J Vymetal, J Heyda, J Vondrasek, P Jungwirth
The Journal of Physical Chemistry A 115 (41), 11193-11201, 2011
Electrodeposition of nano-sized nuclei of magnetic Co–Ni alloys onto n-Si (1 0 0)
CA Moina, M Vazdar
Electrochemistry communications 3 (4), 159-163, 2001
Absorption and fluorescence of PRODAN in phospholipid bilayers: A combined quantum mechanics and classical molecular dynamics study
L Cwiklik, AJA Aquino, M Vazdar, P Jurkiewicz, J Pittner, M Hof, H Lischka
The Journal of Physical Chemistry A 115 (41), 11428-11437, 2011
Orientational dependence of the affinity of guanidinium ions to the water surface
E Wernersson, J Heyda, M Vazdar, M Lund, PE Mason, P Jungwirth
The Journal of Physical Chemistry B 115 (43), 12521-12526, 2011
Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole
S Faraji, M Vazdar, VS Reddy, M Eckert-Maksic, H Lischka, H Köppel
The Journal of chemical physics 135 (15), 2011
Aqueous guanidinium–carbonate interactions by molecular dynamics and neutron scattering: relevance to ion–protein interactions
M Vazdar, P Jungwirth, PE Mason
The Journal of Physical Chemistry B 117 (6), 1844-1848, 2013
The molecular mechanism behind reactive aldehyde action on transmembrane translocations of proton and potassium ions
O Jovanovic, AA Pashkovskaya, A Annibal, M Vazdar, N Burchardt, ...
Free Radical Biology and Medicine 89, 1067-1076, 2015
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