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Ondrej Kroutil
Ondrej Kroutil
Central European Institute of Technology, Brno, Czech Republic
E-mailová adresa ověřena na: mail.muni.cz - Domovská stránka
Název
Citace
Citace
Rok
Computer simulations of quartz (101)–water interface over a range of pH values
O Kroutil, Z Chval, AA Skelton, M Predota
The Journal of Physical Chemistry C 119 (17), 9274-9286, 2015
1152015
Modeling of solid–liquid interfaces using scaled charges: rutile (110) surfaces
D Biriukov, O Kroutil, M Předota
Physical Chemistry Chemical Physics 20 (37), 23954-23966, 2018
332018
Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study
M Kabeláč, O Kroutil, M Předota, F Lankaš, M Šíp
Physical Chemistry Chemical Physics 14 (12), 4217-4229, 2012
332012
Cy3 and Cy5 dyes terminally attached to 5′ C end of DNA: structure, dynamics, and energetics
O Kroutil, I Romancova, M Sip, Z Chval
The Journal of Physical Chemistry B 118 (47), 13564-13572, 2014
232014
Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges
O Kroutil, M Předota, M Kabeláč
Journal of Molecular Modeling 23, 1-8, 2017
192017
Pt··· H Nonclassical Interaction in Water-Dissolved Pt (II) Complexes: Coaction of Electronic Effects with Solvent-Assisted Stabilization
O Kroutil, M Předota, Z Chval
Inorganic Chemistry 55 (7), 3252-3264, 2016
152016
Oxalic acid adsorption on rutile: Molecular dynamics and ab initio calculations
D Biriukov, O Kroutil, M Kabeláč, MK Ridley, ML Machesky, M Předota
Langmuir 35 (24), 7617-7630, 2019
142019
Structure and dynamics of solvated hydrogenoxalate and oxalate anions: a theoretical study
O Kroutil, B Minofar, M Kabeláč
Journal of molecular modeling 22, 1-10, 2016
132016
Electrocatalytic monitoring of peptidic proton-wires
V Dorčák, M Kabeláč, O Kroutil, K Bednářová, J Vacek
Analyst 141 (15), 4554-4557, 2016
122016
Phase-sensitive vibrational SFG spectra from simple classical force field molecular dynamics simulations
O Kroutil, S Pezzotti, MP Gaigeot, M Předota
The Journal of Physical Chemistry C 124 (28), 15253-15263, 2020
112020
Synthesis and Profiling of Highly Selective Inhibitors of Methyltransferase DOT1L Based on Carbocyclic C-Nucleosides
P Khirsariya, P Pospisil, L Maier, M Boudny, M Babas, O Kroutil, M Mráz, ...
Journal of Medicinal Chemistry 65 (7), 5701-5723, 2022
62022
Oxalic acid adsorption on rutile: Experiments and surface complexation modeling to 150 C
ML Machesky, MK Ridley, D Biriukov, O Kroutil, M Předota
Langmuir 35 (24), 7631-7640, 2019
62019
Structural stability of peptidic His-containing proton wire in solution and in the adsorbed state
V Dorčák, D Novák, M Kabeláč, O Kroutil, L Bednárová, V Veverka, ...
Langmuir 34 (24), 6997-7005, 2018
52018
Structures of Peptidic H‐wires at Mercury Surface: Molecular Dynamics Study
O Kroutil, M Kabeláč, V Dorčák, J Vacek
Electroanalysis 31 (10), 2032-2040, 2019
32019
Clinoptilolite/electrolyte interface probed by a classical molecular dynamics simulations and batch adsorption experiments
O Kroutil, VD Nguyen, J Volánek, A Kučera, M Předota, V Vranová
Microporous and Mesoporous Materials 328, 111406, 2021
12021
Cysteamine Chemisorption at Mercury–Solution Interfaces in the Context of Redox and Microdissociation Equilibria
V Dorčák, O Kroutil, M Kabeláč, J Janata, J Vacek
Langmuir, 2024
2024
Modelling of solid-liquid interactions using scaled charges in accord with the Electronic continuum correction
D Biriukov, M Predota, O Kroutil, Z Chval, M Kabelac
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Adsorption of oxalic acid on rutile surfaces
D Biriukov, M Predota, O Kroutil, M Ridley, M Machesky
2018
Impact of organic molecules on the colloidal stability of silica nanoparticles–simulations and experiments
D Biriukov, M Předota, O Kroutil, J Rosenqvist, CM Jonsson
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Molecular modeling of biomolecules-surface interactions
O Kroutil
Jihočeská univerzita, 2016
2016
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Články 1–20