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Search results for: protein-ligand binding
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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Expression profiles and genomic organisation of group A protein phosphatase 2C genes inBrassica oleracea
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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The plasma concentration of advanced oxidation protein products and arterial stiffness in apparently healthy adults
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Blood plasma protein and lipid profile changes in calves during the first week of life
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Structure and function of the Ts2631 endolysin of Thermus scotoductus phage vB_Tsc2631 with unique N-terminal extension used for peptidoglycan binding
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Prenatal stress leads to changes in IGF-1 binding proteins network in the hippocampus and frontal cortex of adult male rat
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Evidence of Ligand Elasticity Occurring in Temperature-, Light-, and Pressure-Induced Spin Crossover in 1D Coordination Polymers [Fe(3ditz)3]X2(X = ClO4-, BF4-)
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Comparison of Antioxidant Activity of Protein Isolates Derived from Selected Dry-Cured Meat Products
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Sulforaphane, a cruciferous vegetable-derived isothiocyanate, inhibits protein synthesis in human prostate cancer cells
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E2/E3‐independent ubiquitin‐like protein conjugation by Urm1 is directly coupled to cysteine persulfidation
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CAVER Analyst 1.0: graphic tool for interactive visualization and analysis of tunnels and channels in protein structures
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Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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The Escherichia coli RNA polymerase alpha subunit and transcriptional activation by bacteriophage lambda CII protein.
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Mitogen activated protein kinase 4 (MPK4) influences growth in Populus tremula L.×tremuloides
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Rapeseed Meal Waste Biomass as Single-Cell Protein Substrate for Nutritionally-Enhanced Feed Component
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Post mortem changes in M. iliotibialis lateralis muscle protein profile of emu (Dromaius novaehollandiae)
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Excessive amount of lactose in the diet of two-week-old calves induces urinary protein changes
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublicationMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Corrigendum to “Binding energies of Eu2+ and Eu3+ ions in β-Ca2SiO4 doped with europium” [Opt. Mater. 35 (2013) 2107–2114]
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Design, synthesis and in vitro biological evaluation of a small cyclic peptide as inhibitor of vascular endothelial growth factor binding to neuropilin-1
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Branched pentapeptides as potent inhibitors of the vascular endothelial growth factor 165 binding to Neuropilin-1: Design, synthesis and biological activity
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Structure-function analysis of decay-accelerating factor: identification ofresidues important for binding of the Escherichia coli Dr adhesin and complement regulation
PublicationZidentyfikowano ważne dla wiązania adhezyny Dr uropatogennych Escherichiacoli reszty aminokwasowe w ludzkim receptorze DAF SCR-3.
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Serum Cholesteryl Ester Transfer Protein (CETP) and Sortilin (SORT) in Patients with Psoriasis with Relation to Systemic Treatment
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Least Squares Estimators of Peptide Species Concentrations Based on Gaussian Mixture Decompositions of Protein Mass Spectra
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Influence of one‐night CPAP therapy on the changes of HIF‐1α protein in OSA patients: A pilot study
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Hyperosmolarity adversely impacts recombinant protein synthesis by Yarrowia lipolytica—molecular background revealed by quantitative proteomics
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Analysis of the Link between the Redox State and Enzymatic Activity of the HtrA (DegP) Protein from Escherichia coli
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t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
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The Role of Matrix Gla Protein (MGP) Expression in Paclitaxel and Topotecan Resistant Ovarian Cancer Cell Lines
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The Influence of the Parameters of a Gold Nanoparticle Deposition Method on Titanium Dioxide Nanotubes, Their Electrochemical Response, and Protein Adsorption
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Protein oligomerization is the biochemical process highly up-regulated in porcine oocytes before in vitro maturation (IVM)
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Real-time proliferation of porcine cumulus cells is related to the protein levels and cellular distribution of Cdk4 and Cx43
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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13
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Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Nanostructured polyethersulfone membranes for dye and protein separation: Exploring antifouling role of holmium (III) molybdate nanosheets
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The cell surface protein Ag43 facilitates phage infection of Escherichia coli in the presence of bile salts and carbohydrates
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MITOGEN-ACTIVATED PROTEIN KINASE 4 impacts leaf development, temperature, and stomatal movement in hybrid aspen
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Gene and Protein Accumulation Changes Evoked in Porcine Aorta in Response to Feeding with Two Various Fructan Sources
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Electrochemical Synthesis of Polysaccharide-Protein Complexes. Part 1: Preliminary Studies on Apple Pectin-Albumin Complexes
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GRA1 protein vaccine confers better immune response compared to codon-optimized GRA1 DNA vaccine
PublicationW publikacji oszacowano immunogenność i właściwości protekcyjne szczepionki anty-Toxoplasma gondii opartej na białku rekombinantowym GRA1 oraz dwóch rodzajach szczepionek DNA (plazmidu zawierającego gen kodujący białko GRA1 dzikiego typu oraz modyfikowanego genu kodującego białko GRA1). Uzyskane wyniki sugerują lepsze właściowści immunoprotekcyjne rekombinantowego białka antygenowego niż szczepionek DNA.
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Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n= 1–5, 7, 9, 12) anions
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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Probing the binding selected metal ions and biologically active substances to the antimicrobial peptide LL-37 using DSC, ITC measurements and calculations
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Recycling of Industrial Waste as Soil Binding Additives—Effects on Soil Mechanical and Hydraulic Properties during Its Stabilisation before Road Construction
PublicationTo improve the in situ soil stabilization, different chemical additives are used (ion exchange compounds, additives based on H2SO4 or vinyl polymers, and organic additives using lignosul- fonates). One interesting alternative is the production of additives from various waste materials. The extensive testing of waste-based blends with soil was performed; the mechanical (unconfined compressive strength (UCS)) and hydraulic (capillary...