| Properties of rotating nanoalloys formed by cluster collision: A computer simulation study SA Paz, EPM Leiva, J Jellinek, MM Mariscal The Journal of chemical physics 134, 094701, 2011 | 23 | 2011 |
| Free energy and hidden barriers of the β-sheet structure of prion protein SA Paz, CF Abrams Journal of chemical theory and computation 11 (10), 5024-5034, 2015 | 21 | 2015 |
| Configurational behavior and conductance of alkanedithiol molecular wires from accelerated dynamics simulations SA Paz, ME Zoloff Michoff, CFA Negre, JA Olmos-Asar, MM Mariscal, ... Journal of Chemical Theory and Computation 8 (11), 4539-4545, 2012 | 17 | 2012 |
| Coalescence of nanoclusters analyzed by well-tempered metadynamics. Comparison with straightforward molecular dynamics LM Farigliano, SA Paz, EPM Leiva, MA Villarreal Journal of Chemical Theory and Computation 13 (8), 3874-3880, 2017 | 13 | 2017 |
| Time recovery for a complex process using accelerated dynamics SA Paz, EPM Leiva Journal of chemical theory and computation 11 (4), 1725-1734, 2015 | 13 | 2015 |
| Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet SA Paz, E Vanden-Eijnden, CF Abrams Chemical Science 8 (2), 1225-1232, 2017 | 12 | 2017 |
| Anchoring sites to the STM tip can explain multiple peaks in single molecule conductance histograms SA Paz, MEZ Michoff, CFA Negre, JA Olmos-Asar, MM Mariscal, ... Physical Chemistry Chemical Physics 15 (5), 1526-1531, 2013 | 12 | 2013 |
| Synthesis and characterization of the new two-dimensional Heisenberg antiferromagnet double perovskite BaLaCuSbO 6 MC Blanco, SA Paz, VM Nassif, JJ Guimpel, RE Carbonio Dalton Transactions 44 (23), 10860-10866, 2015 | 11 | 2015 |
| Soft or Hard? investigating the deformation mechanisms of au–pd and Pd nanocubes under compression: an experimental and molecular dynamics study JA de la Rosa Abad, A Londoño-Calderon, EM Bringa, GJ Soldano, ... The Journal of Physical Chemistry C 125 (45), 25298-25306, 2021 | 10 | 2021 |
| Unveiling the mechanism of core–shell formation by counting the relative occurrence of microstates SA Paz, EPM Leiva Chemical Physics Letters 595, 87-90, 2014 | 10 | 2014 |
| Thermodynamics of nanoparticle coalescence at different temperatures via well-tempered metadynamics LM Farigliano, MA Villarreal, EPM Leiva, SA Paz The Journal of Physical Chemistry C 124 (43), 24009-24016, 2020 | 8 | 2020 |
| Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking SR Ribone, SA Paz, CF Abrams, MA Villarreal Journal of Computer-Aided Molecular Design 36 (1), 25-37, 2022 | 6 | 2022 |
| Characterization of amorphous Li x Si structures from ReaxFF via accelerated exploration of local minima F Fernandez, SA Paz, M Otero, D Barraco, EPM Leiva Physical Chemistry Chemical Physics 23 (31), 16776-16784, 2021 | 5 | 2021 |
| Testing convergence of different free-energy methods in a simple analytical system with hidden barriers SA Paz, CF Abrams Computation 6 (2), 27, 2018 | 5 | 2018 |
| Effect of intercalated water on potassium ion transport through Kv1. 2 channels studied via on-the-fly free-energy parametrization SA Paz, L Maragliano, CF Abrams Journal of Chemical Theory and Computation 14 (5), 2743-2750, 2018 | 4 | 2018 |
| Density Functional Tight-Binding Model for Lithium–Silicon Alloys MB Oviedo, F Fernandez, M Otero, EPM Leiva, SA Paz The Journal of Physical Chemistry A 127 (11), 2637-2645, 2023 | 3 | 2023 |
| Diversity of Behavior after Collisions of Sn and Si Nanoparticles Found Using a New Density Functional Tight-Binding Method A Ruderman, MB Oviedo, SA Paz, EPM Leiva The Journal of Physical Chemistry A 127 (42), 8955-8965, 2023 | 1 | 2023 |
| NMR, x-ray, and Mössbauer results for amorphous Li-Si alloys using density functional tight-binding method F Fernandez, M Otero, MB Oviedo, DE Barraco, SA Paz, EPM Leiva Physical Review B 108 (14), 144201, 2023 | 1 | 2023 |
| Molecular Dynamics Simulations of Ion Permeation in Human Voltage-Gated Sodium Channels G Alberini, S Alexis Paz, B Corradi, CF Abrams, F Benfenati, L Maragliano Journal of Chemical Theory and Computation 19 (10), 2953-2972, 2023 | 1 | 2023 |
| Diversity of behavior after collisions of Sn and Si nanoparticles found using a new Density-Functional Tight-Binding model A Ruderman, MB Oviedo, SA Paz, EPM Leiva arXiv preprint arXiv:2308.01250, 2023 | | 2023 |
Ezequiel LeivaUniversidad Nacional de CórdobaVerified email at fcq.unc.edu.ar
