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Agata Kranjc Pietrucci
Agata Kranjc Pietrucci
Institute of Neuroscience and Medicine, Forschungszentrum Juelich, Germany
Email confirmado em fz-juelich.de
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Modulation of alpha-synuclein aggregation by dopamine analogs
D Latawiec, F Herrera, A Bek, V Losasso, M Candotti, F Benetti, E Carlino, ...
PloS one 5 (2), e9234, 2010
762010
Development of antibody fragments for immunotherapy of prion diseases
V Campana, L Zentilin, I Mirabile, A Kranjc, P Casanova, M Giacca, ...
Biochemical Journal 418 (3), 507-515, 2009
532009
Carcinogenicity of acrylamide: A computational study
K Galesa, U Bren, A Kranjc, J Mavri
Journal of agricultural and food chemistry 56 (18), 8720-8727, 2008
532008
Docking ligands on protein surfaces: The case study of prion protein
A Kranjc, S Bongarzone, G Rossetti, X Biarnés, A Cavalli, ML Bolognesi, ...
Journal of chemical theory and computation 5 (9), 2565-2573, 2009
482009
In silico driven design and synthesis of rhodanine derivatives as novel antibacterials targeting the enoyl reductase InhA
L Slepikas, G Chiriano, R Perozzo, S Tardy, A Kranjc, O Patthey-Vuadens, ...
Journal of medicinal chemistry 59 (24), 10917-10928, 2016
392016
Regulation of Bestrophins by Ca2+: A Theoretical and Experimental Study
A Kranjc, FW Grillo, J Rievaj, A Boccaccio, F Pietrucci, A Menini, P Carloni, ...
PloS one 4 (3), e4672, 2009
262009
HIV-1 protease dimerization dynamics reveals a transient druggable binding pocket at the interface
F Pietrucci, AV Vargiu, A Kranjc
Scientific reports 5 (1), 18555, 2015
252015
Guanine alkylation by ethylene oxide: calculation of chemical reactivity
A Kranjc, J Mavri
The Journal of Physical Chemistry A 110 (17), 5740-5744, 2006
252006
Amoebae-Based Screening Reveals a Novel Family of Compounds Restricting Intracellular Legionella pneumophila
CF Harrison, G Chiriano, I Finsel, C Manske, C Hoffmann, B Steiner, ...
ACS infectious diseases 1 (7), 327-338, 2015
172015
A structural entropy index to analyse local conformations in intrinsically disordered proteins
MV Akhila, TJ Narwani, A Floch, M Maljković, S Bisoo, NK Shinada, ...
Journal of structural biology 210 (1), 107464, 2020
162020
Adrenergic antagonists restrict replication of Legionella
CF Harrison, S Kicka, A Kranjc, I Finsel, G Chiriano, H Ouertatani-Sakouhi, ...
Microbiology 161 (Pt_7), 1392-1406, 2015
122015
Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in …
N Hanna, S Kicka, G Chiriano, C Harrison, HO Sakouhi, V Trofimov, ...
Frontiers in microbiology 11, 266, 2020
102020
Elucidating the differences in the molecular mechanism of receptor binding between 2019-nCoV and the SARS-CoV viruses using computational tools
HTT Lai, LH Nguyen, A Kranjc, TT Nguyen, D Nguyen-Manh
bioRxiv, 2020.04. 21.053009, 2020
72020
The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations
HTT Lai, A Giorgetti, G Rossetti, TT Nguyen, P Carloni, A Kranjc
Molecules 26 (5), 1250, 2021
52021
Data set of intrinsically disordered proteins analysed at a local protein conformation level
AM Vattekatte, TJ Narwani, A Floch, M Maljković, S Bisoo, NK Shinada, ...
Data in brief 29, 105383, 2020
52020
Structural models of human big conductance calcium-and voltage-gated potassium channels
A Kranjc, C Anselmi, P Carloni, FE Blaney
Computer physics communications 177 (1-2), 21-26, 2007
42007
Identification of novel anti-bacterial compounds from a chemically highly diverse pathways-based library using phenotypic screens in amoebae host models
S Kicka, N Hanna, G Chiriano, C Harrison, HO Sakouhi, V Trofimov, ...
BioRxiv, 497032, 2018
32018
Predicting structural determinants and ligand poses in proteins involved in neurological diseases: Bioinformatics and molecular simulation studies
A Kranjc
SISSA, 2009
32009
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
K Zuo, A Kranjc, R Capelli, G Rossetti, R Nechushtai, P Carloni
Physical Chemistry Chemical Physics 25 (20), 13819-13824, 2023
22023
A comparative study of receptor interactions between SARS-CoV and SARS-CoV-2 from molecular modeling
HTT Lai, LH Nguyen, AD Phan, A Kranjc, TT Nguyen, D Nguyen-Manh
Journal of molecular modeling 28 (10), 305, 2022
22022
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Artigos 1–20