Search Results - "Balogh, Gábor"
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First Step of the Transglutaminase Reaction Catalyzed by Activated Factor XIII Subunit A, Hybrid Quantum Chemistry/Molecular Mechanics Calculations
Published in The journal of physical chemistry. B (09-05-2019)“…The A subunit of blood coagulation factor XIII belongs to the family of transglutaminase enzymes. Its active form (FXIIIa) catalyzes isopeptide bond formation…”
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Automatic Parallelisation of Sturctured Mesh Computations with SYCL
Published in 2021 IEEE International Conference on Cluster Computing (CLUSTER) (01-09-2021)“…Structured meshes are widely used for scientific computations such as Computational Fluid Dynamics (CFD) applications or finance. Modern applications often…”
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Conference Proceeding -
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Locality optimized unstructured mesh algorithms on GPUs
Published in Journal of parallel and distributed computing (01-12-2019)“…Unstructured-mesh based numerical algorithms such as finite volume and finite element algorithms form an important class of applications for many scientific…”
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Molecular Mechanisms of the Impaired Heparin Pentasaccharide Interactions in 10 Antithrombin Heparin Binding Site Mutants Revealed by Enhanced Sampling Molecular Dynamics
Published in Biomolecules (Basel, Switzerland) (01-06-2024)“…Antithrombin (AT) is a critical regulator of the coagulation cascade by inhibiting multiple coagulation factors including thrombin and FXa. Binding of…”
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Synechocystis HSP17 is an Amphitropic Protein That Stabilizes Heat-Stressed Membranes and Binds Denatured Proteins for Subsequent Chaperone-Mediated Refolding
Published in Proceedings of the National Academy of Sciences - PNAS (13-03-2001)“…The small heat shock proteins (sHSPs) are ubiquitous stress proteins proposed to act as molecular chaperones to prevent irreversible protein denaturation. We…”
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Membrane lipid therapy: Modulation of the cell membrane composition and structure as a molecular base for drug discovery and new disease treatment
Published in Progress in lipid research (01-07-2015)“…Nowadays we understand cell membranes not as a simple double lipid layer but as a collection of complex and dynamic protein–lipid structures and microdomains…”
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The Interaction of Factor Xa and IXa with Non-Activated Antithrombin in Michaelis Complex: Insights from Enhanced-Sampling Molecular Dynamics Simulations
Published in Biomolecules (Basel, Switzerland) (06-05-2023)“…The interaction between coagulation factors Xa and IXa and the activated state of their inhibitor, antithrombin (AT),have been investigated using X-ray…”
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Journal Article -
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The mechanism of high affinity pentasaccharide binding to antithrombin, insights from Gaussian accelerated molecular dynamics simulations
Published in Journal of biomolecular structure & dynamics (01-11-2020)“…The activity of antithrombin (AT), a serpin protease inhibitor, is enhanced by heparin and heparin analogs against its target proteases, mainly thrombin,…”
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9
Computerized modelling of operation (CMO) before thoracoplasty
Published in Magyar sebészet (01-06-2011)“…Thoraco-myoplasty (TMP) has proven to be the only successful method of treatment for severe cases of chronic pyothorax (CPT). Great loss of muscle tissue and…”
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Journal Article -
10
Cerebrospinal fluid lipidomic biomarker signatures of demyelination for multiple sclerosis and Guillain–Barré syndrome
Published in Scientific reports (27-10-2020)“…Multiple sclerosis (MS) and Guillain – Barré syndrome (GBS) are demyelinating disorders affecting the central nervous system and peripheral nervous system…”
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Key role of lipids in heat stress management
Published in FEBS letters (27-06-2013)“…Heat stress is a common and, therefore, an important environmental impact on cells and organisms. While much attention has been paid to severe heat stress,…”
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Journal Article -
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Is it worth for bachelor graduates to diversify study programme for master level?
Published in International journal of educational management (05-10-2020)“…PurposeThe purpose of this paper is to add supplement to the theory of human capital with a less researched aspect: diversification possibilities of the…”
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13
Lipids and Trehalose Actively Cooperate in Heat Stress Management of Schizosaccharomyces pombe
Published in International journal of molecular sciences (09-12-2021)“…Homeostatic maintenance of the physicochemical properties of cellular membranes is essential for life. In yeast, trehalose accumulation and lipid remodeling…”
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“Heat shock lipid” in cyanobacteria during heat/light-acclimation
Published in Archives of biochemistry and biophysics (15-04-2005)“…Parallel with the heat/light-induced thylakoid microdomain reorganization and thermal stabilization of photosynthesis we observed an increase in the level of…”
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Comparison of Carbohydrate Force Fields Using Gaussian Accelerated Molecular Dynamics Simulations and Development of Force Field Parameters for Heparin-Analogue Pentasaccharides
Published in Journal of chemical information and modeling (25-11-2019)“…Computational description of conformational and dynamic properties of anticoagulant heparin analogue pentasaccharides is of crucial importance in understanding…”
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An empirical study of the internal factors influencing the application of compensation incentives in SMEs
Published in Competitiveness review (21-05-2021)“…Purpose Competitiveness is a multidimensional construct, related to a number of external and internal company factors. This paper aims to provide empirical…”
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Journal Article -
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Mental health competencies are stronger determinants of well-being than mental disorder symptoms in both psychiatric and non-clinical samples
Published in Scientific reports (05-06-2024)“…The present study aimed to investigate whether the strength of mental health competencies and the severity of mental disorder symptoms, and their interaction,…”
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Preliminary validation of the Mental Health Test in a psychiatric sample
Published in Scientific reports (18-02-2024)“…To assist psychiatrists and clinical psychologists to assess their patients’ psychological immune competence-based capacities and resources, depending on the…”
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Journal Article -
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Vacuum assisted closure (VAC) of pyothorax with bronchial fistula following radiotherapy, pneumonectomy and thoraco-myoplasty
Published in Magyar sebészet (01-04-2011)“…Pulmonary fibrosis and impeding gangrene as complications of radiotherapy and chemotherapy developed in a patient who previously underwent right upper…”
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Journal Article -
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Conformational Analysis of Heparin-Analogue Pentasaccharides by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations
Published in Journal of chemical information and modeling (28-06-2021)“…Elucidation and improvement of the blood coagulant properties of heparin are the focus of intense research. In this study, we performed conformational analysis…”
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