| Mechanism of the reaction of human manganese superoxide dismutase with peroxynitrite: nitration of critical tyrosine 34 V Demicheli, DM Moreno, GE Jara, A Lima, S Carballal, N Ríos, ... Biochemistry 55 (24), 3403-3417, 2016 | 52 | 2016 |
| Binding of modulators to mouse and human multidrug resistance P-glycoprotein. A computational study GE Jara, DMA Vera, AB Pierini Journal of Molecular Graphics and Modelling 46, 10-21, 2013 | 43 | 2013 |
| Structural dynamics of SARS-CoV-2 nucleocapsid protein induced by RNA binding HV Ribeiro-Filho, GE Jara, FAH Batista, GR Schleder, CC Costa Tonoli, ... PLOS Computational Biology 18 (5), e1010121, 2022 | 35 | 2022 |
| An experimental and TD-DFT theoretical study on the photophysical properties of Methylene violet Bernthsen GE Jara, C Solís, N Gsponer, JJ Torres, C Glusko, C Previtali, AB Pierini, ... Dyes and Pigments, 2014 | 21 | 2014 |
| pyKVFinder: an efficient and integrable Python package for biomolecular cavity detection and characterization in data science JVS Guerra, HV Ribeiro-Filho, GE Jara, LO Bortot, JGC Pereira, ... BMC bioinformatics 22, 1-13, 2021 | 18 | 2021 |
| Molecular mechanism of activation of Burkholderia cepacia lipase at aqueous–organic interfaces IP de Oliveira, GE Jara, L Martínez Physical Chemistry Chemical Physics 19 (46), 31499-31507, 2017 | 17 | 2017 |
| Improving efficiency in SMD simulations through a hybrid differential relaxation algorithm CL Ramírez, A Zeida, GE Jara, AE Roitberg, MA Martí Journal of Chemical Theory and Computation 10 (10), 4609-4617, 2014 | 17 | 2014 |
| Detailed analysis of water structure in a solvent mediated electron tunnelingmechanism CFA Negre, GE Jara, DMA Vera, AB Pierini, CG Sánchez Journal of Physics: Condensed Matter 23 (24), 245305, 2011 | 14 | 2011 |
| Anthrax Edema Factor: An ion-adaptive mechanism of catalysis with increased transition-state conformational flexibility GE Jara, L Martínez The Journal of Physical Chemistry B 120 (27), 6504-6514, 2016 | 13 | 2016 |
| DNA methylation of the promoter region at the CREB1 binding site is a mechanism for the epigenetic regulation of brain-specific PKMζ DT Pramio, FM Vieceli, E Varella-Branco, CP Goes, GS Kobayashi, ... Biochimica et Biophysica Acta (BBA)-Gene Regulatory Mechanisms 1866 (1), 194909, 2023 | 5 | 2023 |
| The effects of calcium on lipid–protein interactions and ion flux in the Cx26 connexon embedded into a POPC bilayer JMR Albano, GE Jara, ML Fernández, JC Facelli, MB Ferraro, M Pickholz The Journal of Membrane Biology 252, 451-464, 2019 | 3 | 2019 |
| Wide transition-state ensemble as key component for enzyme catalysis GE Jara, F Pontiggia, R Otten, RV Agafonov, MA Martí, D Kern eLife 12, RP93099, 2025 | 2 | 2025 |
| Exploring the potential of structure-based deep learning approaches for T cell receptor design HV Ribeiro-Filho, GE Jara, JVS Guerra, M Cheung, NR Felbinger, ... PLOS Computational Biology 20 (9), e1012489, 2024 | 2 | 2024 |
| Structural dynamics of SARS-CoV-2 nucleocapsid protein induced by RNA binding HVR Filho, GE Jara, FAH Batista, GR Schleder, CC Tonoli, AS Soprano, ... bioRxiv, 2021.08. 27.457964, 2021 | 2 | 2021 |
| Potential Involvement of Protein Phosphatase PPP2CA on Protein Synthesis and Cell Cycle During SARS-CoV-2 Infection: A Meta-Analysis Investigation LP Otvos, GIM Garrito, GE Jara, PS Lopes-de-Oliveira, LESF Machado Kinases and Phosphatases 3 (1), 4, 2025 | | 2025 |
| Estudio computacional de procesos de interés orgánico y biológico GE Jara, AB Pierini | | |
| Mechanism of the Reaction of human Mn-Superoxide Dismutase with V Demicheli, DM Moreno, GE Jara, A Lima, S Carballal, N Ríos, ... | | |
| Catalytic mechanism of conversion of ATP to cyclic-AMP catalyzed by the Edema Factor of Anthrax: a QM/MM study GE Jara, L Martinez | | |
| Modeling of substrates and inhibitors binding to an abc multidrug resistance transporter GE Jara, DMA Vera, AB Pierini 2º CONGRESO ARGENTINO DE BIOINFORMÁTICA Y BIOLOGÍA COMPUTACIONAL, 94, 0 | | |
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresE-mail megerősítve itt: qi.fcen.uba.ar
