Search Results - "Černý, Jiří"
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Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
Published in Physical chemistry chemical physics : PCCP (01-01-2006)“…MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs, amino acid pairs and model complexes are…”
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Isotopic Depletion Increases the Spatial Resolution of FPOP Top-Down Mass Spectrometry Analysis
Published in Analytical chemistry (Washington) (30-01-2024)“…Protein radical labeling, like fast photochemical oxidation of proteins (FPOP), coupled to a top-down mass spectrometry (MS) analysis offers an alternative…”
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Mapping the potential distribution of the principal vector of Crimean-Congo haemorrhagic fever virus Hyalomma marginatum in the Old World
Published in PLoS neglected tropical diseases (01-11-2023)“…Crimean-Congo haemorrhagic fever (CCHF) is the most widely distributed tick-borne viral disease in humans and is caused by the Crimean-Congo haemorrhagic fever…”
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On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations
Published in Journal of chemical theory and computation (12-01-2010)“…The strengths of noncovalent interactions are generally very sensitive to a number of geometric parameters. Among the most important of these parameters is the…”
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Double-Helical → Ladder Structural Transition in the B-DNA is Induced by a Loss of Dispersion Energy
Published in Journal of the American Chemical Society (26-11-2008)“…The role of the dispersion energy and electrostatic energy on the geometry and stability of the B-DNA helix was investigated. Both molecular dynamics…”
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Bioinformatic analysis of the protein/DNA interface
Published in Nucleic acids research (01-03-2014)“…To investigate the principles driving recognition between proteins and DNA, we analyzed more than thousand crystal structures of protein/DNA complexes. We…”
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A DNA structural alphabet provides new insight into DNA flexibility
Published in Acta crystallographica. Section D, Biological crystallography. (01-01-2018)“…DNA is a structurally plastic molecule, and its biological function is enabled by adaptation to its binding partners. To identify the DNA structural…”
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Nucleoside inhibitors of tick-borne encephalitis virus
Published in Antimicrobial agents and chemotherapy (01-09-2015)“…Tick-borne encephalitis virus (TBEV) is a leading cause of human neuroinfections in Europe and Northeast Asia. There are no antiviral therapies for treating…”
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Roles of Octabutoxy Substitution and J‑Aggregation in Stabilization of the Excited State in Nickel Phthalocyanine
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24-07-2014)“…Nickel phthalocyanine (NiPc) complexes are known to show a rapid nonradiative deactivation of the photoexcited state through the internal conversion. This…”
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Evolution of tertiary structure of viral RNA dependent polymerases
Published in PloS one (09-05-2014)“…Viral RNA dependent polymerases (vRdPs) are present in all RNA viruses; unfortunately, their sequence similarity is too low for phylogenetic studies…”
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Engineering PD-1-targeted small protein variants for in vitro diagnostics and in vivo PET imaging
Published in Journal of translational medicine (06-05-2024)“…Programmed cell death 1 (PD-1) belongs to immune checkpoint proteins ensuring negative regulation of the immune response. In non-small cell lung cancer…”
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The crystal structure of XdpB, the bacterial old yellow enzyme, in an FMN-free form
Published in PloS one (09-04-2018)“…Old Yellow Enzymes (OYEs) are NAD(P)H dehydrogenases of not fully resolved physiological roles that are widespread among bacteria, plants, and fungi and have a…”
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p19-Targeting ILP Protein Blockers of IL-23/Th-17 Pro-Inflammatory Axis Displayed on Engineered Bacteria of Food Origin
Published in International journal of molecular sciences (01-07-2018)“…IL-23-mediated Th-17 cell activation and stimulation of IL-17-driven pro-inflammatory axis has been associated with autoimmunity disorders such as Inflammatory…”
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Human IL-22 receptor-targeted small protein antagonist suppress murine DSS-induced colitis
Published in Cell communication and signaling (01-10-2024)“…Human interleukin-22 (IL-22) is known as a "dual function" cytokine that acts as a master regulator to maintain homeostasis, structural integrity of the…”
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Local dynamics of proteins and DNA evaluated from crystallographic B factors
Published in Acta crystallographica. Section D, Biological crystallography. (01-09-2014)“…The dynamics of protein and nucleic acid structures is as important as their average static picture. The local molecular dynamics concealed in diffraction…”
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First Detection of SARS-CoV-2 in White Rhinoceros during a Small-Scale Coronavirus Surveillance in the Bandia Reserve, Senegal
Published in Animals (Basel) (01-08-2023)“…The SARS-CoV-2 pandemic has heightened interest in the monitoring and surveillance of coronaviruses in wildlife. Testing for the virus in animals can provide…”
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Ixodes scapularis saliva components that elicit responses associated with acquired tick-resistance
Published in Ticks and tick-borne diseases (01-05-2020)“…Ticks and tick-borne diseases are on the rise world-wide and vaccines to prevent transmission of tick-borne diseases is an urgent public health need. Tick…”
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Small protein blockers of human IL-6 receptor alpha inhibit proliferation and migration of cancer cells
Published in Cell communication and signaling (07-05-2024)“…Interleukin-6 (IL-6) is a multifunctional cytokine that controls the immune response, and its role has been described in the development of autoimmune…”
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Myomedin replicas of gp120 V3 loop glycan epitopes recognized by PGT121 and PGT126 antibodies as non-cognate antigens for stimulation of HIV-1 broadly neutralizing antibodies
Published in Frontiers in immunology (08-12-2022)“…Imprinting broadly neutralizing antibody (bNAb) paratopes by shape complementary protein mimotopes represents a potential alternative for developing vaccine…”
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ABD-Derived Protein Blockers of Human IL-17 Receptor A as Non-IgG Alternatives for Modulation of IL-17-Dependent Pro-Inflammatory Axis
Published in International journal of molecular sciences (09-10-2018)“…Interleukin 17 (IL-17) and its cognate receptor A (IL-17RA) play a crucial role in Th17 cells-mediated pro-inflammatory pathway and pathogenesis of several…”
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