Balazs Jojart
Balazs Jojart
University of Szeged, Department of Chemical Informatics
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Performance of the general amber force field in modeling aqueous POPC membrane bilayers
B Jójárt, TA Martinek
Journal of computational chemistry 28 (12), 2051-2058, 2007
The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs
Á Tarcsay, G Paragi, M Vass, B Jójárt, F Bogár, GM Keserű
Journal of chemical information and modeling 53 (11), 2990-2999, 2013
Activation mechanism of the human histamine H4 receptor--an explicit membrane molecular dynamics simulation study
B Jójárt, R Kiss, B Viskolcz, G Keserű
Journal of Chemical Infromation and Modeling 48 (6), 1199-1210, 2008
Antioxidant potential of glutathione: a theoretical study
B Fiser, M Szőri, B Jójárt, R Izsák, IG Csizmadia, B Viskolcz
The Journal of Physical Chemistry B 115 (38), 11269-11277, 2011
Glutathione–hydroxyl radical interaction: A theoretical study on radical recognition process
B Fiser, B Jójárt, IG Csizmadia, B Viskolcz
PLoS One 8 (9), e73652, 2013
Mixed micelles of sodium cholate and sodium dodecylsulphate 1: 1 binary mixture at different temperatures–experimental and theoretical investigations
B Jójárt, M Poša, B Fiser, M Szőri, Z Farkaš, B Viskolcz
PLoS One 9 (7), e102114, 2014
Structural features of human DJ-1 in distinct Cys106 oxidative states and their relevance to its loss of function in disease
R Kiss, M Zhu, B Jójárt, A Czajlik, K Solti, B Fórizs, É Nagy, F Zsila, ...
Biochimica et Biophysica Acta (BBA)-General Subjects 1861 (11), 2619-2629, 2017
Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory
Z Mucsi, GA Chass, P Ábrányi-Balogh, B Jójárt, DC Fang, ...
Physical Chemistry Chemical Physics 15 (47), 20447-20455, 2013
A computational study of glutathione and its fragments: N-acetylcisteinylglycine and γ-glutamylmethylamide
VZY Ding, SSH Dawson, LWY Lau, DJR Lee, NJ Galant, DH Setiadi, ...
Chemical Physics Letters 507 (1-3), 168-173, 2011
Properties of the liquid–vapor interface of acetone–water mixtures. A computer simulation and ITIM analysis study
B Fábián, B Jójárt, G Horvai, P Jedlovszky
The Journal of Physical Chemistry C 119 (22), 12473-12487, 2015
Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?
M Szőri, B Jojart, R Izsak, K Szőri, IG Csizmadia, B Viskolcz
Physical Chemistry Chemical Physics 13 (16), 7449-7458, 2011
The 3D structure of the binding pocket of the human oxytocin receptor for benzoxazine antagonists, determined by molecular docking, scoring functions and 3D-QSAR methods
B Jójárt, TA Martinek, Á Márki
Journal of computer-aided molecular design 19 (5), 341-356, 2005
A hidden active site in the potential drug target mycobacterium tuberculosis dUTPase is accessible through small amplitude protein conformational changes
A Lopata, I Leveles, ÁÁ Bendes, B Viskolcz, BG Vértessy, B Jójárt, J Tóth
Journal of Biological Chemistry 291 (51), 26320-26331, 2016
β2-Adrenergic activity of 6-methoxykaempferol-3-O-glucoside on rat uterus: In vitro and in silico studies
AAE Ahmed, A Marki, R Gaspar, A Vasas, MME Mudawi, J Verli, B Jójárt, ...
European journal of pharmacology 667 (1-3), 348-354, 2011
Molecular dynamics simulation at high sodium chloride concentration: toward the inactive conformation of the human adenosine A2A receptor
B Jójárt, R Kiss, B Viskolcz, I Kolossváry, GM Keserű
The Journal of Physical Chemistry Letters 1 (6), 1008-1013, 2010
Receptor-based QSAR studies of non-peptide human oxytocin receptor antagonists
B Jójárt, Á Márki
Journal of Molecular Graphics and Modelling 25 (5), 711-720, 2007
Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor
M Vass, B Jójárt, F Bogár, G Paragi, GM Keserű, Á Tarcsay
Journal of computer-aided molecular design 29 (12), 1137-1149, 2015
Global optimization of cholic acid aggregates
B Jójárt, B Viskolcz, M Poša, SN Fejer
The Journal of chemical physics 140 (14), 144302, 2014
3D QSAR models for α2a-adrenoceptor agonists
B Balogh, B Jójárt, Z Wágner, P Kovács, G Máté, K Gyires, Z Zádori, ...
Neurochemistry international 51 (5), 268-276, 2007
Hydrogen bonding networks in E-or Z-2-(3'-pyridyl)-3-phenylpropenoic (α-pyridylcinnamic) acid assemblies–a molecular modeling study
B Jójárt, I Pálinkó
Molecular modeling annual 7 (11), 408-412, 2001
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