about
Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogiiA Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic AnhydrasesCadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogiiAcylpeptide hydrolase inhibition as targeted strategy to induce proteasomal down-regulation.Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach.Molecular dynamics simulations of PNA-PNA and PNA-DNA duplexes by the use of new parameters implemented in the GROMACS package: a conformational and dynamics study.Insights into the mechanism of interaction between trehalose-conjugated beta-sheet breaker peptides and Aβ(1-42) fibrils by molecular dynamics simulations.Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements.Structural identification of an HER2 receptor model binding pocket to optimize lead compounds: a combined experimental and computational approach.Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage.Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: effect of protonation of histidine residues.Probing the peptidylglycine alpha-hydroxylating monooxygenase active site with novel 4-phenyl-3-butenoic acid based inhibitors.A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: structure, function and electrostatics.Insight into the stereospecificity of short-chain thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and prelog enantioselectivity.Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.In silico investigation and targeting of amyloid β oligomers of different size.First Archaeal PEPB-Serine Protease Inhibitor from Sulfolobus solfataricus with Noncanonical Amino Acid Sequence in the Reactive-Site Loop.Prosystemin, a prohormone that modulates plant defense barriers, is an intrinsically disordered protein.Evaluation of HER2-specific peptide ligand for its employment as radiolabeled imaging probe.A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations.A novel class of protease targets of phosphatidylethanolamine-binding proteins (PEBP): a study of the acylpeptide hydrolase and the PEBP inhibitor from the archaeon Sulfolobus solfataricusDoes tetracycline bind helix 2 of prion? An integrated spectroscopical and computational study of the interaction between the antibiotic and α helix 2 human prion protein fragmentsThe Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic BehaviorExploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricusAssessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKa calculations and molecular dynamics simulationsSeeking for binding determinants of the prion protein to human plasminogen
P50
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P50
description
hulumtuese
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Emma Langella
@ast
Emma Langella
@en
Emma Langella
@es
Emma Langella
@nl
type
label
Emma Langella
@ast
Emma Langella
@en
Emma Langella
@es
Emma Langella
@nl
prefLabel
Emma Langella
@ast
Emma Langella
@en
Emma Langella
@es
Emma Langella
@nl
P106
P1153
6506262352
P21
P31
P496
0000-0002-9033-1975