Nath Bhaumik Kaushik; Hetényi Anasztázia; Olajos Gábor; Martins Ana; Spohn Réka; Németh Lukács; Jójárt Balázs; Szili Petra; Dunai Anett; Jangir Pramod Kumar; Daruka Lejla; Földesi Imre; Kata Diána; Pál Csaba; Martinek Tamás:
Rationally designed foldameric adjuvants enhance antibiotic efficacy via promoting membrane hyperpolarization.
MOLECULAR SYSTEMS DESIGN & ENGINEERING, 7 (1).
pp. 21-33.
ISSN 2058-9689
(2022)
Németh Lukács; Martinek Tamás; Jójárt Balázs:
Tilted State Population of Antimicrobial Peptide PGLa Is Coupled to the Transmembrane Potential.
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 62 (20).
pp. 4963-4969.
ISSN 1549-9596
(2022)
Jójárt Balázs; Orgován Zoltán; Márki Árpád; Pándy-Szekeres Gáspár; Ferenczy György; Keserű György Miklós:
Allosteric activation of metabotropic glutamate receptor 5.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 38 (9).
pp. 2624-2632.
ISSN 0739-1102
(2020)
Hantal György; Fábián Balázs; Sega Marcello; Jójárt Balázs; Jedlovszky Pál:
Effect of general anesthetics on the properties of lipid membranes of various compositions.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, 1861 (3).
pp. 594-609.
ISSN 0005-2736
(2019)
Rózsa Zsófia Borbála; Németh Lukács; Jójárt Balázs; Nehéz Károly; Viskolcz Béla; Szőri Milán:
Molecular Dynamics and Metadynamics Insights of 1,4-Dioxane-Induced Structural Changes of Biomembrane Models.
JOURNAL OF PHYSICAL CHEMISTRY B, 123 (37).
pp. 7869-7884.
ISSN 1520-6106
(2019)
Hamid Ahmad Kamal M.; Salvatore Joanna C.; Wang Ke; Murahari Prashantha; Guljas Andrea; Rágyanszki Anita; Owen Michael Christopher; Jójárt Balázs; Szőri Milán; Csizmadia Imre Gyula; Viskolcz Béla; Fiser Béla:
Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19).
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 80.
pp. 259-269.
ISSN 1476-9271
(2019)
Kiss Róbert; Zhu Max; Jójárt Balázs; Czajlik András; Solti Katalin; Fórizs Balázs; Nagy Éva; Zsila Ferenc; Beke-Somfai Tamás; Tóth Gergely:
Structural features of human DJ-1 in distinct Cys106 oxidative states and their relevance to its loss of function in disease.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 1861 (11 (Part A)).
pp. 2619-2629.
ISSN 0304-4165
(2017)
Lopata Anna; Leveles Ibolya; Bendes Ábris Ádám; Viskolcz Béla; Vértessy Beáta (Grolmuszné); Jójárt Balázs; Tóth Judit:
A Hidden Active Site in the Potential Drug Target Mycobacterium tuberculosis dUTPase Is Accessible through Small Amplitude Protein Conformational Changes.
JOURNAL OF BIOLOGICAL CHEMISTRY, 291 (51).
pp. 26320-26331.
ISSN 0021-9258
(2016)
Szórád János József; Pongráczné Faragó Eszter; Rágyanszki Anita; Cimino Franco A.; Fiser Béla; Owen Michael Christopher; Jójárt Balázs; Morgado Claudio A.; Szőri Milán; Jensen Knak Svend J.; Csizmadia Imre Gyula; Viskolcz Béla:
Conformation change of opiorphin derivates. A theoretical study of the radical initiated epimerization of opiorphin.
Chemical Physics Letters, 626.
pp. 29-38.
ISSN 00092614
(2015)
Vass Márton; Jójárt Balázs; Bogár Ferenc; Paragi Gábor; Keserű György Miklós; Tarcsay Ákos:
Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 29 (12).
pp. 1137-1149.
ISSN 0920-654X
(2015)
Fiser Béla; Jójárt Balázs; Szőri Milán; Lendvay György; Csizmadia Imre Gyula; Viskolcz Béla:
Glutathione as a Prebiotic Answer to α-Peptide Based Life.
The Journal of Physical Chemistry B, 119 (10).
pp. 3940-3947.
ISSN 1520-6106
(2015)
Fábián Balázs; Jójárt Balázs; Horvai György; Jedlovszky Pál:
Properties of the Liquid-Vapor Interface of Acetone-Water Mixtures. A Computer Simulation and ITIM Analysis Study.
JOURNAL OF PHYSICAL CHEMISTRY C, 119 (22).
pp. 12473-12487.
ISSN 1932-7447
(2015)
Jedlovszky Pál; Jójárt Balázs; Horvai György:
Properties of the intrinsic surface of liquid acetone, as seen from computer simulations.
MOLECULAR PHYSICS, 113 (9-10).
pp. 985-996.
ISSN 0026-8976
(2015)
Szőri Milán; Jójárt Balázs; Viskolcz Béla:
Szerveződő kémiai rendszerek számítása.
MAGYAR KÉMIKUSOK LAPJA, 70 (5).
pp. 153-157.
ISSN 0025-0163
(2015)
Jójárt Balázs; Poša Mihalj M; Fiser Béla; Szőri Milán; Farkaš Zita; Viskolcz Béla:
Mixed Micelles of Sodium Cholate and Sodium Dodecylsulphate 1:1 Binary Mixture at Different Temperatures – Experimental and Theoretical Investigations.
PLoS ONE, 9 (7).
Terjedelem: 9 p.-Azonosító: e102114.
ISSN 1932-6203
(2014)
Tarcsay Ákos; Paragi Gábor; Vass Márton; Jójárt Balázs; Bogár Ferenc; Keserű György Miklós:
The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs.
Journal of Chemical Information and Modeling, 53 (11).
pp. 2990-2999.
ISSN 1549-9596
(2013)
Ahmed Aimun Abdelgaffar Elhassan; Márki Árpád; Gáspár Róbert; Vasas Andrea; Mudawi Mahmoud Mudawi Eltahir; Jójárt Balázs; Minorics Renáta; Hohmann Judit; Falkay György:
In silico and in vitro pharmacological investigations of a natural alkaloid.
Medicinal Chemistry Research, 21 (12).
pp. 4100-4107.
ISSN 1054-2523
(2012)
Ahmed Aimun Abdelgaffar Elhassan; Márki Árpád; Gáspár Róbert; Vasas Andrea; Mudawi Mahmoud Mudawi Eltahir; Verli Judit; Jójárt Balázs; Hohmann Judit; Falkay György:
Beta(2)-adrenergic activity of 6-methoxykaempferol-3-O-glucoside on rat uterus: in vitro and in silico studies.
European Journal of Pharmacology, 667 (1-3).
pp. 348-354.
ISSN 0014-2999
(2011)
Jójárt Balázs; Martinek Tamás A.:
Performance of the general amber force field in modeling aqueous POPC membrane bilayers.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 28 (12).
pp. 2051-2058.
ISSN 0192-8651
(2007)
Jójárt Balázs; Pálinkó István:
Hydrogen bonding networks in E- or Z-2-(3’-pyridyl)-3-phenylpropenoic (α-pyridylcinnamic) acid assemblies – a molecular modeling study.
Journal of Molecular Modeling, 7 (11).
pp. 408-412.
ISSN 1610-2940
(2001)