| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5929 | 2021 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling 63 (20), 6183-6191, 2023 | 597 | 2023 |
| FRET biosensor uncovers cAMP nano-domains at β-adrenergic targets that dictate precise tuning of cardiac contractility NC Surdo, M Berrera, A Koschinski, M Brescia, MR Machado, C Carr, ... Nature communications 8, 15031, 2017 | 208 | 2017 |
| SIRAH: a structurally unbiased coarse-grained force field for proteins with aqueous solvation and long-range electrostatics L Darré, MR Machado, AF Brandner, HC González, S Ferreira, S Pantano Journal of chemical theory and computation 11 (2), 723-739, 2015 | 188 | 2015 |
| A coarse grained model for atomic-detailed DNA simulations with explicit electrostatics PD Dans, A Zeida, MR Machado, S Pantano Journal of chemical theory and computation 6 (5), 1711-1725, 2010 | 171 | 2010 |
| Another coarse grain model for aqueous solvation: WAT FOUR? L Darré, MR Machado, PD Dans, FE Herrera, S Pantano Journal of Chemical Theory and Computation 6 (12), 3793-3807, 2010 | 162 | 2010 |
| 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 | 151 | 2019 |
| SIRAH tools: mapping, backmapping and visualization of coarse-grained models MR Machado, S Pantano Bioinformatics 32 (10), 1568-1570, 2016 | 126 | 2016 |
| Split the Charge Difference in Two! a Rule of Thumb for Adding Proper Amounts of Ions in MD Simulations MR Machado, S Pantano Journal of Chemical Theory and Computation 16 (3), 1367-1372, 2020 | 95 | 2020 |
| Regulation of signaling directionality revealed by 3D snapshots of a kinase: regulator complex in action F Trajtenberg, JA Imelio, MR Machado, N Larrieux, MA Marti, G Obal, ... Elife 5, e21422, 2016 | 72 | 2016 |
| A hybrid all-atom/coarse grain model for multiscale simulations of DNA MR Machado, PD Dans, S Pantano Physical Chemistry Chemical Physics 13 (40), 18134-18144, 2011 | 59 | 2011 |
| Coarse‐grained models of water L Darré, MR Machado, S Pantano Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (6), 921-930, 2012 | 54 | 2012 |
| Breathing, bubbling, and bending: DNA flexibility from multimicrosecond simulations A Zeida, MR Machado, PD Dans, S Pantano Physical Review E 86 (2), 021903, 2012 | 51 | 2012 |
| 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 | 47 | 2019 |
| Exploring LacI–DNA dynamics by multiscale simulations using the SIRAH force field MR Machado, S Pantano Journal of chemical theory and computation 11 (10), 5012-5023, 2015 | 41 | 2015 |
| Thiol-based chemical probes exhibit antiviral activity against SARS-CoV-2 via allosteric disulfide disruption in the spike glycoprotein Y Shi, A Zeida, CE Edwards, ML Mallory, S Sastre, MR Machado, ... Proceedings of the National Academy of Sciences 119 (6), e2120419119, 2022 | 40 | 2022 |
| MD simulations of viruslike particles with supra CG solvation affordable to desktop computers MR Machado, HC González, S Pantano Journal of Chemical Theory and Computation 13 (10), 5106-5116, 2017 | 37 | 2017 |
| Application of the DNA-Specific Stain Methyl Green in the Fluorescent Labeling of Embryos D Prieto, G Aparicio, M Machado, FR Zolessi JoVE (Journal of Visualized Experiments), e52769, 2015 | 27 | 2015 |
| The SIRAH force field: a suite for simulations of complex biological systems at the coarse-grained and multiscale levels F Klein, M Soñora, LH Santos, EN Frigini, A Ballesteros-Casallas, ... Journal of Structural Biology, 107985, 2023 | 26 | 2023 |
| Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus M Soñora, L Martinez, S Pantano, MR Machado Journal of Chemical Information and Modeling 61 (1), 408-422, 2021 | 25 | 2021 |
Sergio PantanoInstitut Pasteur de Montevideopasteur.edu.uy üzerinde doğrulanmış e-posta adresine sahip