GPU acceleration of simulation tool for lipid-bilayers. - Ardita Shkurti; Andrea Acquaviva; Elisa Ficarra; Enrico Macii; Mario Orsi; Martino Ruggiero (BIBM Workshops, 2010)

Characterization of Coarse Grain Molecular Dynamic Simulation Performance on Graphic Processing Unit Architectures. - Ardita Shkurti; Andrea Acquaviva; Elisa Ficarra; Mario Orsi; Enrico Macii (BIOINFORMATICS, 2012)

Acceleration of coarse grain molecular dynamics on GPU architectures. - Ardita Shkurti; Mario Orsi; Enrico Macii; Elisa Ficarra; Andrea Acquaviva (J. Comput. Chem., 2013)

Fast and accurate simulation framework targeting molecular dynamics for cells substructures. - Ardita Shkurti (2013)

ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. - Vivekanandan Balasubramanian; Iain Bethune; Ardita Shkurti; Elena Breitmoser; Eugen Hruska; Cecilia Clementi; Charles A. Laughton; Shantenu Jha (eScience, 2016)

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. - Ardita Shkurti; Josep Ramón Goñi; Pau Andrio; Elena Breitmoser; Iain Bethune; Modesto Orozco; Charles A. Laughton (SoftwareX, 2016)

Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields. - James L. McDonagh; Ardita Shkurti; David J. Bray; Richard L. Anderson 003; Edward O. Pyzer-Knapp (J. Chem. Inf. Model., 2019)