about
Membrane Interactions of the Mason-Pfizer Monkey Virus Matrix Protein and Its Budding Deficient MutantsContinuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes.Alpha-L-fucosidase isoenzyme iso2 from Paenibacillus thiaminolyticus.Global Scale Transcriptional Profiling of Two Contrasting Barley Genotypes Exposed to Moderate Drought Conditions: Contribution of Leaves and Crowns to Water Shortage Coping Strategies.Enhanced sampling techniques in biomolecular simulations.Molecular simulations of hevein/(GlcNAc)3 complex with weakened OH/O and CH/π hydrogen bonds: implications for their role in complex stabilization.The versatile enzyme Araf51 allowed efficient synthesis of rare pathogen-related β-D-galactofuranosyl-pyranoside disaccharides.Biocatalyzed synthesis of difuranosides and their ability to trigger production of TNF-α.CH/π Interactions in Carbohydrate Recognition.Synthesis, in vitro, and in silico evaluation of organometallic technetium and rhenium thymidine complexes with retained substrate activity toward human thymidine kinase type 1.Molecular aspects of the interaction between Mason-Pfizer monkey virus matrix protein and artificial phospholipid membrane.Role of Mason-Pfizer monkey virus CA-NC spacer peptide-like domain in assembly of immature particles.Cold-active beta-galactosidase from Arthrobacter sp. C2-2 forms compact 660 kDa hexamers: crystal structure at 1.9A resolution.Cold-active enzymes studied by comparative molecular dynamics simulation.Enzymatic synthesis of oligo-D-galactofuranosides and l-arabinofuranosides: from molecular dynamics to immunological assays.Modelling of beta-D-glucopyranose ring distortion in different force fields: a metadynamics study.Nucleotide binding triggers a conformational change of the CBS module of the magnesium transporter CNNM2 from a twisted towards a flat structure.Role of CH/pi interactions in substrate binding by Escherichia coli beta-galactosidase.Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosides.Potential-energy and free-energy surfaces of glycyl-phenylalanyl-alanine (GFA) tripeptide: experiment and theory.Effect of chain elongation on biological properties of the toxin paralysin β-alanyl-tyrosine.Free-Energy Surface Prediction by Flying Gaussian Method: Multisystem Representation.Multisystem altruistic metadynamics-Well-tempered variant.Reducing the number of mean-square deviation calculations with floating close structure in metadynamics.Poly-N-Acetyllactosamine Neo-Glycoproteins as Nanomolar Ligands of Human Galectin-3: Binding Kinetics and Modeling.Nonlinear vs. linear biasing in Trp-cage folding simulations.Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.Three-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods.Metadynamics in essential coordinates: free energy simulation of conformational changes.Conformational free energy modeling of druglike molecules by metadynamics in the WHIM space.Altruistic Metadynamics: Multisystem Biased Simulation.The dehydration stress of couch grass is associated with its lipid metabolism, the induction of transporters and the re-programming of development coordinated by ABA.Dispersion interactions of carbohydrates with condensate aromatic moieties: Theoretical study on the CH–π interaction additive propertiesOn the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical CalculationsEstradiol dimer inhibits tubulin polymerization and microtubule dynamicsThermodynamics of the interaction between oxytocin and its myometrial receptor in sheep: A stepwise binding mechanismToward an Accurate Conformational Modeling of Iduronic AcidConformational Free Energy Surface of α-N-Acetylneuraminic Acid: An Interplay Between Hydrogen Bonding and SolvationModelling of carbohydrate–aromatic interactions: ab initio energetics and force field performanceThe C-type lectin-like receptor Nkrp1b: Structural proteomics reveals features affecting protein conformation and interactions
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P50
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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Vojtech Spiwok
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P106
P1153
6505858001
P21
P31
P496
0000-0001-8108-2033