Multiscale modelization in a small virus: Mechanism of proton channeling and its role in triggering capsid disassembly JF Viso, P Belelli, M Machado, H González, S Pantano, MJ Amundarain, ... PLoS Computational Biology 14 (4), e1006082, 2018 | 19 | 2018 |
Orthosteric and benzodiazepine cavities of the α1β2γ2 GABAA receptor: insights from experimentally validated in silico methods MJ Amundarain, JF Viso, F Zamarreño, A Giorgetti, M Costabel Journal of Biomolecular Structure and Dynamics 37 (6), 1597-1615, 2019 | 17 | 2019 |
GABAA receptor family: overview on structural characterization MJ Amundarain, RP Ribeiro, MD Costabel, A Giorgetti Future medicinal chemistry 11 (3), 229-245, 2019 | 17 | 2019 |
Molecular mechanisms of 33-mer gliadin peptide oligomerisation MJ Amundarain, MG Herrera, F Zamarreño, JF Viso, MD Costabel, ... Physical Chemistry Chemical Physics 21 (40), 22539-22552, 2019 | 17 | 2019 |
Implementing complementary approaches to shape the mechanism of α-synuclein oligomerization as a model of amyloid aggregation M Giampà, MJ Amundarain, MG Herrera, N Tonali, VI Dodero Molecules 27 (1), 88, 2021 | 8 | 2021 |
Conserved charged amino acids are key determinants for fatty acid binding proteins (FABPs)-membrane interactions. A multi-methodological computational approach F Zamarreño, A Giorgetti, MJ Amundarain, JF Viso, B Córsico, ... Journal of Biomolecular Structure and Dynamics 36 (4), 861-877, 2018 | 6 | 2018 |
Thin‐Plate Superstructures of the Immunogenic 33‐mer Gliadin Peptide MG Herrera, MJ Amundarain, F Nicoletti, M Drechsler, M Costabel, ... ChemBioChem 23 (22), e202200552, 2022 | 5 | 2022 |
The Celiac‐Disease Superantigen Oligomerizes and Increases Permeability in an Enterocyte Cell Model MG Herrera, MJ Amundarain, PW Dörfler, VI Dodero Angewandte Chemie International Edition, e202317552, 2024 | 4 | 2024 |
IDP Force Fields Applied to Model PPII-Rich 33-mer Gliadin Peptides MJ Amundarain, A Vietri, VI Dodero, MD Costabel The Journal of Physical Chemistry B 127 (11), 2407-2417, 2023 | 4 | 2023 |
How does α 1 Histidine102 affect the binding of modulators to α 1 β 2 γ 2 GABA A receptors? molecular insights from in silico experiments MJ Amundarain, ER Caffarena, MD Costabel Physical Chemistry Chemical Physics 23 (6), 3993-4006, 2021 | 4 | 2021 |
Estudio computacional del receptor GABAA α1β2γ2 y su interacción con moléculas de interés biológico en el sitio de unión de benzodiazepinas MJ Amundarain | 4 | 2019 |
Das Zöliakie‐Superantigen Oligomerisiert und Erhöht die Permeabilität in einem Enterozyten‐Zellmodell MG Herrera, MJ Amundarain, PW Dörfler, VI Dodero Angewandte Chemie 136 (21), e202317552, 2024 | | 2024 |
Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations DJ Obiol, MJ Amundarain, F Zamarreño, A Vietri, SS Antollini, ... The Journal of Physical Chemistry B 128 (10), 2398-2411, 2024 | | 2024 |
Biophysical evaluation of the oligomerization and conformational properties of the N-terminal domain of TDP-43 MG Herrera, MJ Amundarain, J Santos Archives of Biochemistry and Biophysics 737, 109533, 2023 | | 2023 |
Cholesterol effects on α7-nAChR embedded in POPC bilayer A Vietri, DJ Obiol, MJ Amundarain, F Zamarreño, SS Antollini, M Costabel Sociedad Argentina de Biofísica, 2022 | | 2022 |
A Molecular Dynamic approach to the differential interaction between unsaturated free fatty acids and the nicotinic acetylcholine receptor DJ Obiol, MJ Amundarain, ODA Jaure, F Zamarreño, SS Antollini, ... Sociedad Argentina de Biofísica, 2019 | | 2019 |
Role of charged residues in the protein membrane and protein-protein interaction during activation of the mitochondrial pathway of apoptosis ODA Jaure, JF Viso, MJ Amundarain, F Zamarreño, MD Costabel Fundación Revista Medicina, 2017 | | 2017 |
Electrostatic Analysis of the Aggregation of TrV Viral Particles MD Costabel, MJ Amundarain, F Zamarreño, R Sánchez-Eugenia, ... Biophysical Journal 100 (3), 542a, 2011 | | 2011 |