Search Results - "Jandova, Zuzana"
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Therapy of chronic hepatitis C in people who inject drugs: focus on adherence
Published in Harm reduction journal (30-06-2021)“…Abstract Background Intravenous drug use (IVDU) represents the major factor of HCV transmission, but the treatment uptake among people who inject drugs (PWID)…”
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The HADDOCK2.4 web server for integrative modeling of biomolecular complexes
Published in Nature protocols (01-11-2024)“…Interactions between macromolecules, such as proteins and nucleic acids, are essential for cellular functions. Experimental methods can fail to provide all the…”
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Native Phytoremediation Potential of Urtica dioica for Removal of PCBs and Heavy Metals Can Be Improved by Genetic Manipulations Using Constitutive CaMV 35S Promoter
Published in PloS one (08-12-2016)“…Although stinging nettle (Urtica dioica) has been shown to reduce HM (heavy metal) content in soil, its wider phytoremediation potential has been neglected…”
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Serogroup and Clonal Characterization of Czech Invasive Neisseria meningitidis Strains Isolated from 1971 to 2015
Published in PloS one (09-12-2016)“…This study presents antigenic and genetic characteristics of Neisseria meningitidis strains recovered from invasive meningococcal disease (IMD) in the Czech…”
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Free-Energy Calculations for Bioisosteric Modifications of A3 Adenosine Receptor Antagonists
Published in International journal of molecular sciences (16-07-2019)“…Adenosine receptors are a family of G protein-coupled receptors with increased attention as drug targets on different indications. We investigate the…”
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Correction: Native Phytoremediation Potential of Urtica dioica for Removal of PCBs and Heavy Metals Can Be Improved by Genetic Manipulations Using Constitutive CaMV 35S Promoter
Published in PloS one (19-10-2017)“…[This corrects the article DOI: 10.1371/journal.pone.0167927.]…”
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‘Click chemistry’ synthesis of 1-(α-d-mannopyranosyl)-1,2,3-triazoles for inhibition of α-mannosidases
Published in Carbohydrate research (10-04-2015)“…Three new triazole conjugates derived from d-mannose were synthesized and assayed in in vitro assays to investigate their ability to inhibit α-mannosidase…”
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Saturation Mutagenesis by Efficient Free-Energy Calculation
Published in Journal of chemical theory and computation (13-02-2018)“…Single-point mutations in proteins can greatly influence protein stability, binding affinity, protein function or its expression per se. Here, we present…”
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Native or Non-Native Protein–Protein Docking Models? Molecular Dynamics to the Rescue
Published in Journal of chemical theory and computation (14-09-2021)“…Molecular docking excels at creating a plethora of potential models of protein–protein complexes. To correctly distinguish the favorable, native-like models…”
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10
Binding Modes and Metabolism of Caffeine
Published in Chemical research in toxicology (15-07-2019)“…A correct estimate of ligand binding modes and a ratio of their occupancies is crucial for calculations of binding free energies. The newly developed method…”
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Free energy calculations on the stability of the 14-3-3ζ protein
Published in Biochimica et biophysica acta. Proteins and proteomics (01-03-2018)“…Mutations of cysteine are often introduced to e.g. avoid formation of non-physiological inter-molecular disulfide bridges in in-vitro experiments, or to…”
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Free-Energy Calculations for Bioisosteric Modifications of A(3) Adenosine Receptor Antagonists
Published in International journal of molecular sciences (02-07-2019)“…Adenosine receptors are a family of G protein-coupled receptors with increased attention as drug targets on different indications. We investigate the…”
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Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Heme b
Published in ACS catalysis (02-08-2019)“…Coproheme decarboxylase (ChdC) catalyzes the last step in the heme biosynthesis pathway of monoderm bacteria with coproheme acting both as redox cofactor and…”
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Chemistry and Molecular Dynamics Simulations of Heme b‑HemQ and Coproheme-HemQ
Published in Biochemistry (Easton) (27-09-2016)“…Recently, a novel pathway for heme b biosynthesis in Gram-positive bacteria has been proposed. The final poorly understood step is catalyzed by an enzyme…”
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Abstract B037: Hit-finding by Cysteine-Scanning (HCS): A method for finding druggable pockets
Published in Molecular cancer research (01-05-2023)“…Abstract Large-scale cancer sequencing efforts coupled with deep functional genomic interrogation of cancer models provides us an increasingly detailed view of…”
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Free-Energy Calculations for Bioisosteric Modifications of A 3 Adenosine Receptor Antagonists
Published in International journal of molecular sciences (16-07-2019)“…Adenosine receptors are a family of G protein-coupled receptors with increased attention as drug targets on different indications. We investigate the…”
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17
A protocol for information-driven antibody-antigen modelling with the HADDOCK2.4 webserver
Published 07-05-2020“…In the recent years, therapeutic use of antibodies has seen a huge growth, due to their inherent proprieties and technological advances in the methods used to…”
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