| Utilizing machine learning for efficient parameterization of coarse grained molecular force fields JL McDonagh, A Shkurti, DJ Bray, RL Anderson, EO Pyzer-Knapp Journal of chemical information and modeling 59 (10), 4278-4288, 2019 | 50 | 2019 |
| pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data A Shkurti, R Goni, P Andrio, E Breitmoser, I Bethune, M Orozco, ... SoftwareX 5, 44-50, 2016 | 49 | 2016 |
| Multiscale modeling of cellular actin filaments: From atomistic molecular to coarse‐grained dynamics MA Deriu, A Shkurti, G Paciello, TC Bidone, U Morbiducci, E Ficarra, ... Proteins: Structure, Function, and Bioinformatics 80 (6), 1598-1609, 2012 | 41 | 2012 |
| CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space A Shkurti, ID Styliari, V Balasubramanian, I Bethune, C Pedebos, S Jha, ... Journal of chemical theory and computation, 2019 | 28 | 2019 |
| Extasy: Scalable and flexible coupling of md simulations and advanced sampling techniques V Balasubramanian, I Bethune, A Shkurti, E Breitmoser, E Hruska, ... 2016 IEEE 12th International Conference on e-Science (e-Science), 361-370, 2016 | 25 | 2016 |
| Acceleration of coarse grain molecular dynamics on GPU architectures A Shkurti, M Orsi, E Macii, E Ficarra, A Acquaviva Journal of computational chemistry 34 (10), 803-818, 2013 | 9 | 2013 |
| Extasy: Scalable and flexible coupling of md simulations and advanced sampling techniques; 2016 V Balasubramanian, I Bethune, A Shkurti, E Breitmoser, E Hruska, ... Google Scholar There is no corresponding record for this reference, 361-370, 0 | 5 | |
| Living with pandemics in higher education: People, place and policy M Thomas, T Gonondo, P Rautenbach, K Seeley, A Shkurti, A Thomas, ... Living with Pandemics, 47-58, 2021 | 4 | 2021 |
| GPU acceleration of simulation tool for lipid-bilayers A Shkurti, A Acquaviva, E Ficarra, E Macii, M Orsi, M Ruggiero 2010 IEEE International Conference on Bioinformatics and Biomedicine …, 2010 | 3 | 2010 |
| Characterization of Coarse Grain Molecular Dynamic Simulation Performance on Graphic Processing Unit Architectures. A Shkurti, A Acquaviva, E Ficarra, M Orsi, E Macii BIOINFORMATICS, 339-342, 2012 | 2 | 2012 |
| ExTASY: a python-based extensible toolkit for advanced sampling and analysis in biomolecular simulation A Shkurti, C Laughton, R Goni, I Bethune, E Breitmoser, S Jha, ... EuroSciPy 2015, 2015 | 1 | 2015 |
| Putting ExTASY in charge of an arduous computational challenge A Shkurti, C Laughton, R Goni, I Bethune, E Breitmoser, S Jha, ... Supercomputing 2014 (SC14), 2014 | 1 | 2014 |
| Fast and Accurate Simulation Framework Targeting Molecular Dynamics for Cells Substructures A Shkurti Politecnico di Torino, 2023 | | 2023 |
| Bespoke parameterization of DPD force fields via Bayesian optimization J McDonagh, A Shkurti, D Bray, R Anderson, M Johnston, W Swope, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Optimization of Molecular Dynamics Simulations from a High Performance Computing Viewpoint A Shkurti, M Orsi, A Acquaviva, E Ficarra, E Macii, S Wheeler, JW Essex Titolo volume non avvalorato, 2013 | | 2013 |
| Towards Low Cost Virtual Biological Laboratories: Molecular Modelling Simulation on Commodity Hardware. A Shkurti, A Acquaviva, E Ficarra, M Orsi, E Macii, JW Essex Titolo volume non avvalorato, 2012 | | 2012 |
| ExTASY: Accelerating molecular shapes discovery in biomolecular simulation A Shkurti Changing the Face of HPC, 8, 0 | | |
Andrea AcquavivaFull Professor, Department of Electrical, Electronic and Information Engineering "Guglielmo Marconi"Email verificata su unibo.it
