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Wyświetlanie 1-18 z 18
Tytuł:
Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates.
Autorzy:
Pągielska M; Faculty of Chemistry, University of Gdansk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.
Samsonov SA; Faculty of Chemistry, University of Gdansk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.
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Źródło:
Biomolecules [Biomolecules] 2023 Jan 28; Vol. 13 (2). Date of Electronic Publication: 2023 Jan 28.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Dermatan Sulfate*/analysis
Dermatan Sulfate*/chemistry
Dermatan Sulfate*/metabolism
Molecular Dynamics Simulation*
Chondroitin Sulfates/chemistry ; Glycosaminoglycans/chemistry ; Sulfates
Czasopismo naukowe
Tytuł:
Molecular Dynamics Approaches Dissect Molecular Mechanisms Underlying Methylene Blue-Glycosaminoglycan Interactions.
Autorzy:
Maszota-Zieleniak M; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza, 63, 80-308 Gdańsk, Poland.
Zsila F; Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudósok Körútja 2, 1117 Budapest, Hungary.
Samsonov SA; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza, 63, 80-308 Gdańsk, Poland.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2022 Apr 20; Vol. 27 (9). Date of Electronic Publication: 2022 Apr 20.
Typ publikacji:
Journal Article
MeSH Terms:
Glycosaminoglycans*/chemistry
Molecular Dynamics Simulation*
Chondroitin Sulfates ; Heparin/metabolism ; Methylene Blue
Czasopismo naukowe
Tytuł:
Biglycan Interacts with Type I Insulin-like Receptor (IGF-IR) Signaling Pathway to Regulate Osteosarcoma Cell Growth and Response to Chemotherapy.
Autorzy:
Giatagana EM; Laboratory of Histology-Embryology, Medical School, University of Crete, 71003 Heraklion, Greece.
Berdiaki A; Laboratory of Histology-Embryology, Medical School, University of Crete, 71003 Heraklion, Greece.
Gaardløs M; Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdansk, Poland.
Samsonov SA; Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdansk, Poland.
Tzanakakis GN; Laboratory of Histology-Embryology, Medical School, University of Crete, 71003 Heraklion, Greece.
Nikitovic D; Laboratory of Histology-Embryology, Medical School, University of Crete, 71003 Heraklion, Greece.
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Źródło:
Cancers [Cancers (Basel)] 2022 Feb 25; Vol. 14 (5). Date of Electronic Publication: 2022 Feb 25.
Typ publikacji:
Journal Article
Czasopismo naukowe
Tytuł:
Effect of Tetraphenylborate on Physicochemical Properties of Bovine Serum Albumin.
Autorzy:
Grabowska O; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Kogut MM; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Żamojć K; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Samsonov SA; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Makowska J; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Tesmar A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Chmur K; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Wyrzykowski D; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Chmurzyński L; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2021 Oct 29; Vol. 26 (21). Date of Electronic Publication: 2021 Oct 29.
Typ publikacji:
Journal Article
MeSH Terms:
Serum Albumin, Bovine/*chemistry
Tetraphenylborate/*chemistry
Animals ; Calorimetry ; Calorimetry, Differential Scanning ; Cattle ; Circular Dichroism ; Spectrometry, Fluorescence
Czasopismo naukowe
Tytuł:
Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans.
Autorzy:
Marcisz M; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.; Intercollegiate Faculty of Biotechnology of UG and MUG, ul. Abrahama 58, 80-307 Gdańsk, Poland.
Maszota-Zieleniak M; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.
Huard B; Laboratory TIMC-IMAG, University Grenoble-Alpes, CNRS UMR 5525, 38700 La Tronche, France.
Samsonov SA; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland.
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Źródło:
Biomolecules [Biomolecules] 2021 Sep 12; Vol. 11 (9). Date of Electronic Publication: 2021 Sep 12.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Dynamics Simulation*
Glycosaminoglycans/*chemistry
Transmembrane Activator and CAML Interactor Protein/*chemistry
Tumor Necrosis Factor Ligand Superfamily Member 13/*chemistry
B-Cell Maturation Antigen/chemistry ; Heparin/chemistry ; Molecular Docking Simulation ; Protein Binding ; Thermodynamics
Czasopismo naukowe
Tytuł:
Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems.
Autorzy:
Liwo A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Czaplewski C; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Sieradzan AK; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Lipska AG; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Samsonov SA; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
Murarka RK; Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhopal Bypass Road, Bhopal 462066, MP, India.
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Źródło:
Biomolecules [Biomolecules] 2021 Sep 11; Vol. 11 (9). Date of Electronic Publication: 2021 Sep 11.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Models, Theoretical*
Molecular Dynamics Simulation*
DNA/chemistry ; Hydrodynamics ; Hydrogen Bonding ; Kinetics ; Mutant Proteins/chemistry ; Phosphorylation ; Protein Folding ; Proteins/chemistry ; Proteins/metabolism
Czasopismo naukowe
Tytuł:
Probing the Proton-Loading Site of Cytochrome C Oxidase Using Time-Resolved Fourier Transform Infrared Spectroscopy.
Autorzy:
Gorbikova E; Institute of Biotechnology, University of Helsinki, FIN-00014 Helsinki, Finland.
Samsonov SA; Faculty of Chemistry, University of Gdansk, 80-308 Gdansk, Poland.
Kalendar R; Department of Agricultural Sciences, University of Helsinki, FI-00014 Helsinki, Finland.
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Źródło:
Molecules (Basel, Switzerland) [Molecules] 2020 Jul 27; Vol. 25 (15). Date of Electronic Publication: 2020 Jul 27.
Typ publikacji:
Journal Article
MeSH Terms:
Electron Transport Complex IV/*chemistry
Electron Transport Complex IV/genetics ; Hydrogen-Ion Concentration ; Kinetics ; Models, Molecular ; Mutagenesis, Site-Directed ; Mutation ; Oxidation-Reduction ; Paracoccus denitrificans/enzymology ; Protons ; Spectroscopy, Fourier Transform Infrared/methods
Czasopismo naukowe
Tytuł:
Meglumine acridone acetate, the ionic salt of CMA and N-methylglucamine, induces apoptosis in human PBMCs via the mitochondrial pathway.
Autorzy:
Plotnikova MA; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia. .
Klotchenko SA; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia.
Kiselev AA; Almazov National Medical Research Centre, St. Petersburg, Russia.
Gorshkov AN; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia.
Shurygina AS; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia.
Vasilyev KA; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia.
Uciechowska-Kaczmarzyk U; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.
Samsonov SA; Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.
Kovalenko AL; Institute of Toxicology, Federal Medical-Biological Agency of Russia, St. Petersburg, Russia.
Vasin AV; Smorodintsev Research Institute of Influenza, St. Petersburg, Russia.; Institute of Biomedical Systems and Botechnologies, Peter the Great St. Petersburg Polytechnic University, St. Petersburg, Russia.; Saint Petersburg State Chemical Pharmaceutical University, St. Petersburg, Russia.
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Źródło:
Scientific reports [Sci Rep] 2019 Dec 03; Vol. 9 (1), pp. 18240. Date of Electronic Publication: 2019 Dec 03.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Acridines/*pharmacology
Apoptosis/*drug effects
Leukocytes, Mononuclear/*drug effects
Mitochondria/*drug effects
Acridones/pharmacology ; Cell Membrane Permeability/drug effects ; Gene Expression/drug effects ; Gene Expression Profiling ; Humans ; Meglumine/pharmacology ; Membrane Potential, Mitochondrial/drug effects ; Metabolic Networks and Pathways/drug effects ; Real-Time Polymerase Chain Reaction ; Sequence Analysis, RNA
Czasopismo naukowe
Tytuł:
Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction.
Autorzy:
Potthoff J; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland. .; Institute of Chemistry and Biochemistry, Free University of Berlin, Takustr. 3, 14195 Berlin, Germany. .
Bojarski KK; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland. .
Kohut G; Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2, 1117 Budapest, Hungary. .; MTA-ELTE Research Group of Peptide Chemistry, Hungarian Academy of Sciences, Eötvös Loránd University, Budapest 112, P.O. Box 32, 1518 Budapest, Hungary. .
Lipska AG; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland. .
Liwo A; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland. .
Kessler E; Maurice and Gabriela Goldschleger Eye Research Institute, Tel-Aviv University Sackler Faculty of Medicine, Sheba Medical Center, Tel-Hashomer, 52621 Ramat Gan, Israel. .
Ricard-Blum S; Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, CNRS, INSA Lyon, CPE, University Claude Bernard Lyon 1, Univ Lyon, 69622 Villeurbanne CEDEX, France. .
Samsonov SA; Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland. sergey.samsonov@ug.edu.pl.
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2019 Oct 10; Vol. 20 (20). Date of Electronic Publication: 2019 Oct 10.
Typ publikacji:
Journal Article
MeSH Terms:
Calcium/*chemistry
Extracellular Matrix Proteins/*chemistry
Extracellular Matrix Proteins/*metabolism
Glycosaminoglycans/*chemistry
Glycosaminoglycans/*metabolism
Amino Acid Sequence ; Binding Sites ; Ions ; Models, Molecular ; Molecular Docking Simulation ; Protein Conformation ; Protein Interaction Domains and Motifs
Czasopismo naukowe
Tytuł:
Insights into the structure and dynamics of lysyl oxidase propeptide, a flexible protein with numerous partners.
Autorzy:
Vallet SD; Univ Lyon, University Claude Bernard Lyon 1, CNRS, INSA Lyon, CPE, Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, F-69622, Villeurbanne cedex, France.
Miele AE; Univ Lyon, University Claude Bernard Lyon 1, CNRS, INSA Lyon, CPE, Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, F-69622, Villeurbanne cedex, France.
Uciechowska-Kaczmarzyk U; Laboratory of Molecular Modeling, Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308, Gdańsk, Poland.
Liwo A; Laboratory of Molecular Modeling, Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308, Gdańsk, Poland.
Duclos B; Univ Lyon, University Claude Bernard Lyon 1, CNRS, INSA Lyon, CPE, Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, F-69622, Villeurbanne cedex, France.
Samsonov SA; Laboratory of Molecular Modeling, Department of Theoretical Chemistry, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308, Gdańsk, Poland.
Ricard-Blum S; Univ Lyon, University Claude Bernard Lyon 1, CNRS, INSA Lyon, CPE, Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, F-69622, Villeurbanne cedex, France. .
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Źródło:
Scientific reports [Sci Rep] 2018 Aug 06; Vol. 8 (1), pp. 11768. Date of Electronic Publication: 2018 Aug 06.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Protein-Lysine 6-Oxidase/*chemistry
Dynamic Light Scattering ; Glycosaminoglycans/metabolism ; Humans ; Molecular Dynamics Simulation ; Protein-Lysine 6-Oxidase/metabolism ; Signal Transduction ; X-Ray Diffraction
Czasopismo naukowe
Tytuł:
Insights into the preferential order of strand exchange in the Cre/loxP recombinase system: impact of the DNA spacer flanking sequence and flexibility.
Autorzy:
Abi-Ghanem J; Structural Bioinformatics, Biotec TU Dresden, Tatzberg 47-51, 01037, Dresden, Germany, .
Samsonov SA
Pisabarro MT
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Źródło:
Journal of computer-aided molecular design [J Comput Aided Mol Des] 2015 Mar; Vol. 29 (3), pp. 271-82. Date of Electronic Publication: 2015 Jan 03.
Typ publikacji:
Journal Article
MeSH Terms:
DNA, Intergenic*/chemistry
DNA, Intergenic*/metabolism
Molecular Dynamics Simulation*
Integrases/*chemistry
Amino Acid Motifs ; Integrases/metabolism ; Models, Molecular ; Protein Conformation ; Recombination, Genetic
Czasopismo naukowe
Tytuł:
Multipose binding in molecular docking.
Autorzy:
Atkovska K; Structural Bioinformatics, BIOTEC TU Dresden, Tatzberg 47-51, Dresden 01307, Germany. .
Samsonov SA; Structural Bioinformatics, BIOTEC TU Dresden, Tatzberg 47-51, Dresden 01307, Germany. .
Paszkowski-Rogacz M; Department of Medical Systems Biology, TU Dresden, Medical Faculty, University Hospital Carl Gustav Carus, Dresden 01307, Germany. .
Pisabarro MT; Structural Bioinformatics, BIOTEC TU Dresden, Tatzberg 47-51, Dresden 01307, Germany. .
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Źródło:
International journal of molecular sciences [Int J Mol Sci] 2014 Feb 14; Vol. 15 (2), pp. 2622-45. Date of Electronic Publication: 2014 Feb 14.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Docking Simulation*
HIV Protease/chemistry ; HIV Protease/metabolism ; HIV Protease Inhibitors/chemistry ; HIV Protease Inhibitors/metabolism ; Ligands ; Peptides/chemistry ; Peptides/metabolism ; Principal Component Analysis ; Protein Binding ; Proteins/chemistry ; Proteins/metabolism ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/metabolism ; Software ; src Homology Domains
Czasopismo naukowe
Tytuł:
Glycosaminoglycan monosaccharide blocks analysis by quantum mechanics, molecular dynamics, and nuclear magnetic resonance.
Autorzy:
Samsonov SA; Structural Bioinformatics, BIOTEC, TU Dresden, Tatzberg 47-51, 01307 Dresden, Germany.
Theisgen S; Institute of Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, 04107 Leipzig, Germany.
Riemer T; Institute of Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, 04107 Leipzig, Germany.
Huster D; Institute of Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, 04107 Leipzig, Germany.
Pisabarro MT; Structural Bioinformatics, BIOTEC, TU Dresden, Tatzberg 47-51, 01307 Dresden, Germany.
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Źródło:
BioMed research international [Biomed Res Int] 2014; Vol. 2014, pp. 808071. Date of Electronic Publication: 2014 Apr 07.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Quantum Theory*
Glycosaminoglycans/*chemistry
Monosaccharides/*chemistry
Magnetic Resonance Spectroscopy ; Models, Molecular ; Molecular Conformation ; Molecular Dynamics Simulation ; Protons
Czasopismo naukowe
Tytuł:
SCOWLP update: 3D classification of protein-protein, -peptide, -saccharide and -nucleic acid interactions, and structure-based binding inferences across folds.
Autorzy:
Teyra J; Structural Bioinformatics BIOTEC TU Dresden, Tatzberg 47-51 01037 Dresden, Germany. />Samsonov SA
Schreiber S
Pisabarro MT
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Źródło:
BMC bioinformatics [BMC Bioinformatics] 2011 Oct 13; Vol. 12, pp. 398. Date of Electronic Publication: 2011 Oct 13.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Software*
Carbohydrates/*chemistry
Nucleic Acids/*metabolism
Proteins/*chemistry
Animals ; Carbohydrate Metabolism ; Databases, Protein ; Humans ; Internet ; Ligands ; Nucleic Acids/chemistry ; Peptides/chemistry ; Peptides/metabolism ; Protein Binding ; Protein Interaction Maps ; Protein Structure, Tertiary ; Proteins/metabolism
Czasopismo naukowe
Tytuł:
Docking glycosaminoglycans to proteins: analysis of solvent inclusion.
Autorzy:
Samsonov SA; Structural Bioinformatics, BIOTEC TU Dresden, Tatzberg, Germany. />Teyra J
Pisabarro MT
Pokaż więcej
Źródło:
Journal of computer-aided molecular design [J Comput Aided Mol Des] 2011 May; Vol. 25 (5), pp. 477-89. Date of Electronic Publication: 2011 May 20.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Dynamics Simulation*
Glycosaminoglycans/*chemistry
Proteins/*chemistry
Solvents/*chemistry
Water/*chemistry
Binding Sites ; Databases, Protein ; Disaccharides/chemistry ; Glycosaminoglycans/metabolism ; Heparin/chemistry ; Heparitin Sulfate/chemistry ; Interleukin-8/chemistry ; Protein Binding ; Protein Structure, Tertiary ; Proteins/metabolism ; Software ; Solvents/metabolism ; Structure-Activity Relationship ; Water/metabolism
Czasopismo naukowe
Tytuł:
Analysis of the impact of solvent on contacts prediction in proteins.
Autorzy:
Samsonov SA; Structural Bioinformatics, BIOTEC TU Dresden, Tatzberg, Germany. sergey.samsonov@biotec.tu-dresden.de
Teyra J
Anders G
Pisabarro MT
Pokaż więcej
Źródło:
BMC structural biology [BMC Struct Biol] 2009 Apr 15; Vol. 9, pp. 22. Date of Electronic Publication: 2009 Apr 15.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Proteins/*chemistry
Solvents/*chemistry
Databases, Protein ; Mutation ; Protein Conformation ; Protein Structure, Tertiary ; Water/chemistry ; src Homology Domains
Czasopismo naukowe
    Wyświetlanie 1-18 z 18

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