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 | 162 | 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 | 64 | 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 | 43 | 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 | 41 | 2017 |
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 | 41* | 2008 |
Glutathione–hydroxyl radical interaction: A theoretical study on radical recognition process B Fiser, B Jojart, IG Csizmadia, B Viskolcz PLoS One 8 (9), e73652, 2013 | 37 | 2013 |
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 | 37 | 2011 |
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 | 25 | 2013 |
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 | 21 | 2015 |
Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean? M Szőri, B Jójárt, R Izsák, K Szőri, IG Csizmadia, B Viskolcz Physical Chemistry Chemical Physics 13 (16), 7449-7458, 2011 | 21 | 2011 |
Effect of general anesthetics on the properties of lipid membranes of various compositions G Hantal, B Fábián, M Sega, B Jójárt, P Jedlovszky Biochimica et Biophysica Acta (BBA)-Biomembranes 1861 (3), 594-609, 2019 | 18 | 2019 |
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 | 17 | 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, 341-356, 2005 | 17 | 2005 |
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 | 16 | 2011 |
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 | 15 | 2016 |
Beyond chelation: EDTA tightly binds taq DNA polymerase, MutT and dUTPase and directly inhibits dNTPase activity A Lopata, B Jójárt, ÉV Surányi, E Takács, L Bezúr, I Leveles, ÁÁ Bendes, ... Biomolecules 9 (10), 621, 2019 | 13 | 2019 |
Glutathione as a prebiotic answer to α-peptide based life B Fiser, B Jójárt, M Szőri, G Lendvay, IG Csizmadia, B Viskolcz The Journal of Physical Chemistry B 119 (10), 3940-3947, 2015 | 13 | 2015 |
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 | 13 | 2010 |
Molecular Dynamics and Metadynamics Insights of 1, 4-Dioxane-Induced Structural Changes of Biomembrane Models ZB Rózsa, LJ Németh, B Jójárt, K Nehéz, B Viskolcz, M Szőri The Journal of Physical Chemistry B 123 (37), 7869-7884, 2019 | 11 | 2019 |
Global optimization of cholic acid aggregates B Jójárt, B Viskolcz, M Poša, SN Fejer The Journal of Chemical Physics 140 (14), 2014 | 11 | 2014 |