| w-REXAMD: A Hamiltonian replica exchange approach to improve free energy calculations for systems with kinetically trapped conformations M Arrar, CAF de Oliveira, M Fajer, W Sinko, JA McCammon Journal of chemical theory and computation 9 (1), 18-23, 2013 | 46 | 2013 |
| Substrate stereo‐specificity in tryptophan dioxygenase and indoleamine 2, 3‐dioxygenase L Capece, M Arrar, AE Roitberg, SR Yeh, MA Marti, DA Estrin Proteins: Structure, Function, and Bioinformatics 78 (14), 2961-2972, 2010 | 41 | 2010 |
| Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7 [S] L Boechi, M Arrar, MA Martí, JS Olson, AE Roitberg, DA Estrin Journal of Biological Chemistry 288 (9), 6754-6762, 2013 | 31 | 2013 |
| Structural insight into the separate roles of inositol tetraphosphate and deacetylase‐activating domain in activation of histone deacetylase 3 M Arrar, R Turnham, L Pierce, CAF de Oliveira, JA McCammon Protein Science 22 (1), 83-92, 2013 | 31 | 2013 |
| Structural insights into the HWE histidine kinase family: the Brucella blue light-activated histidine kinase domain J Rinaldi, M Arrar, G Sycz, ML Cerutti, PM Berguer, G Paris, DA Estrín, ... Journal of Molecular Biology 428 (6), 1165-1179, 2016 | 24 | 2016 |
| On the accurate estimation of free energies using the Jarzynski equality M Arrar, FM Boubeta, ME Szretter, M Sued, L Boechi, D Rodriguez Journal of Computational Chemistry 40 (4), 688-696, 2019 | 22 | 2019 |
| Lessons learned about steered molecular dynamics simulations and free energy calculations FM Boubeta, RM Contestín García, EN Lorenzo, L Boechi, D Estrin, ... Chemical biology & drug design 93 (6), 1129-1138, 2019 | 19 | 2019 |
| Accelerated adaptive integration method JW Kaus, M Arrar, JA McCammon The Journal of Physical Chemistry B 118 (19), 5109-5118, 2014 | 12 | 2014 |
| Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps F Marsico, O Burastero, LA Defelipe, ED Lopez, M Arrar, AG Turjanski, ... Biochemical and biophysical research communications 498 (2), 305-312, 2018 | 11 | 2018 |
| Distribution of FMR1 and FMR2 Repeats in Argentinean Patients with Primary Ovarian Insufficiency LD Espeche, V Chiauzzi, I Ferder, M Arrar, AP Solari, CD Bruque, ... Genes 8 (8), 194, 2017 | 11 | 2017 |
| Inactivating mutation in histone deacetylase 3 stabilizes its active conformation M Arrar, CAF de Oliveira, J Andrew McCammon Protein Science 22 (10), 1306-1312, 2013 | 10 | 2013 |
| Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra SE Jorge, M Bringas, AA Petruk, M Arrar, MA Marti, MS Skaf, FF Costa, ... Archives of biochemistry and biophysics 637, 73-78, 2018 | 9 | 2018 |
| Nucleotide-dependent dynamics of the Dengue NS3 helicase C Sarto, SB Kaufman, DA Estrin, M Arrar Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1868 (8), 140441, 2020 | 7 | 2020 |
| Insights into the product release mechanism of dengue virus NS3 helicase NS Adler, LA Cababie, C Sarto, CN Cavasotto, LG Gebhard, DA Estrin, ... Nucleic Acids Research 50 (12), 6968-6979, 2022 | 4 | 2022 |
| Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein C Sarto, S Florez-Rueda, M Arrar, CPR Hackenberger, D Lauster, ... Biological Chemistry 403 (5-6), 615-624, 2022 | 2 | 2022 |
| Mathematical and Computational Initiatives from the University of Buenos Aires to Contribute to Decision-Making in the Context of COVID-19 in Argentina M Arrar, LML Belloli, AM Bianco, L Boechi, RD Castro, GA Duran, ... Centro de Estudios sobre Ciencia, Desarrollo y Educación Superior, 2021 | 2 | 2021 |
| Exactas Programa: llevando la programación a cada rincón de la ciencia M López-Rosenfeld, E Mocskos, MG Lebrero, J Crespo, M Arrar, I Caridi, ... Electronic Journal of SADIO (EJS) 20 (1), 56-76, 2021 | 1 | 2021 |
| Iniciativas matemático computacionales desde la Universidad de Buenos Aires para contribuir a la toma de decisiones en el contexto del COVID-19 M Arrar, LML Belloli, AM Bianco, L Boechi, RD Castro, GA Duran, ... Universidad de Chile, 2020 | 1 | 2020 |
| Impact of bound ssRNA length on allostery in the Dengue Virus NS3 helicase F Amrein, C Sarto, LA Cababie, FL Gonzalez Flecha, SB Kaufman, ... Nucleic Acids Research 51 (20), 11213-11224, 2023 | | 2023 |
| Thermodynamic and mechanistic analysis of the functional properties of dengue virus NS3 helicase JJ Incicco, LA Cababie, C Sarto, NS Adler, F Amrein, E Mikkelsen, M Arrar, ... Biophysical Reviews 15 (4), 591-600, 2023 | | 2023 |
Dario Estrinuniversity of buenos aires (UBA)- INQUIMAE - CONICETVerified email at qi.fcen.uba.ar
