| The SIRAH 2.0 force field: altius, fortius, citius MR Machado, EE Barrera, F Klein, M Sóñora, S Silva, S Pantano Journal of chemical theory and computation 15 (4), 2719-2733, 2019 | 128 | 2019 |
| p31-43 gliadin peptide forms oligomers and induces NLRP3 inflammasome/caspase 1-dependent mucosal damage in small intestine MF Gómez Castro, E Miculán, MG Herrera, C Ruera, F Perez, ED Prieto, ... Frontiers in immunology 10, 31, 2019 | 44 | 2019 |
| Fat SIRAH: Coarse-Grained Phospholipids To Explore Membrane–Protein Dynamics EE Barrera, MR Machado, S Pantano Journal of Chemical Theory and Computation 15 (10), 5674-5688, 2019 | 40 | 2019 |
| Modeling DMPC lipid membranes with SIRAH force-field EE Barrera, EN Frigini, RD Porasso, S Pantano Journal of molecular modeling 23, 1-6, 2017 | 26 | 2017 |
| Conformational transition of Aβ42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis EEB Guisasola, LJ Gutiérrez, RE Salcedo, FM Garibotto, SA Andujar, ... Computational and Theoretical Chemistry 1080, 56-65, 2016 | 26 | 2016 |
| Assessing SIRAH’s capability to simulate intrinsically disordered proteins and peptides F Klein, EE Barrera, S Pantano Journal of chemical theory and computation 17 (2), 599-604, 2021 | 24 | 2021 |
| Structural conformation and self‐assembly process of p31‐43 gliadin peptide in aqueous solution. Implications for celiac disease MG Herrera, MF Gómez Castro, E Prieto, E Barrera, VI Dodero, S Pantano, ... The FEBS journal 287 (10), 2134-2149, 2020 | 22 | 2020 |
| New mimetic peptides inhibitors of Αβ aggregation. Molecular guidance for rational drug design EEB Guisasola, SA Andujar, E Hubin, K Broersen, IM Kraan, L Méndez, ... European journal of medicinal chemistry 95, 136-152, 2015 | 20 | 2015 |
| Dissecting the role of glutamine in seeding peptide aggregation EE Barrera, F Zonta, S Pantano Computational and Structural Biotechnology Journal 19, 1595-1602, 2021 | 16 | 2021 |
| Role of membrane curvature on the activation/deactivation of Carnitine Palmitoyltransferase 1A: A coarse grain molecular dynamic study EN Frigini, EE Barrera, S Pantano, RD Porasso Biochimica et Biophysica Acta (BBA)-Biomembranes 1862 (2), 183094, 2020 | 15 | 2020 |
| Post-translational modifications at the coarse-grained level with the SIRAH force field PG Garay, EE Barrera, S Pantano Journal of Chemical Information and Modeling 60 (2), 964-973, 2019 | 15 | 2019 |
| Mechanistic and biological characterisation of novel N5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania A Medeiros, D Benítez, RS Korn, VC Ferreira, E Barrera, F Carrión, ... Journal of Enzyme Inhibition and Medicinal Chemistry 35 (1), 1345-1358, 2020 | 14 | 2020 |
| Comparative analysis reveals amino acids critical for anticancer activity of peptide CIGB‐552 S Astrada, Y Gomez, E Barrera, G Obal, O Pritsch, S Pantano, ... Journal of Peptide Science 22 (11-12), 711-722, 2016 | 14 | 2016 |
| The SIRAH-CoV-2 Initiative: a coarse-grained simulations' dataset of the sars-cov-2 proteome PG Garay, EE Barrera, F Klein, MR Machado, M Soñora, S Pantano Frontiers in Medical Technology 3, 644039, 2021 | 13 | 2021 |
| Complex I and II subunit gene duplications provide increased fitness to worms L Otero, C Martínez-Rosales, E Barrera, S Pantano, G Salinas Frontiers in Genetics 10, 467800, 2019 | 12 | 2019 |
| Pentameric models as alternative molecular targets for the design of new antiaggregant agents E E Barrera Guisasola, L J Gutierrez, S A Andujar, E Angelina, ... Current Protein and Peptide Science 17 (2), 156-168, 2016 | 12 | 2016 |
| A QM/MM study of the molecular recognition site of bapineuzumab toward the amyloid-β peptide isoforms LJ Gutierrez, EE Barrera Guisasola, N Peruchena, RD Enriz Molecular Simulation 42 (3), 196-207, 2016 | 12 | 2016 |
| Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β42 monomer J Gera, T Szögi, Z Bozsó, L Fülöp, EE Barrera, AM Rodriguez, L Méndez, ... Bioorganic Chemistry 81, 211-221, 2018 | 8 | 2018 |
| The stressed life of a lipid in the Zika virus membrane M Soñora, EE Barrera, S Pantano Biochimica et Biophysica Acta (BBA)-Biomembranes 1864 (1), 183804, 2022 | 7 | 2022 |
| Evolutionary and structural constraints influencing apolipoprotein A‐I amyloid behavior RA Gisonno, T Masson, NA Ramella, EE Barrera, V Romanowski, ... Proteins: Structure, Function, and Bioinformatics 90 (1), 258-269, 2022 | 6 | 2022 |
Sergio PantanoInstitut Pasteur de MontevideoVerified email at pasteur.edu.uy
