LIGATE - LIgand Generator and portable drug discovery platform AT Exascale

G. Palermo, G. Accordi, D. Gadioli, Y. Zhang, E. Vitali, B. Guindani, D. Ardagna, C. Silvano, A. R. Beccari, D. Bonanni, C. Talarico, F. Lughini, A. D. Biswas, J. Martinovic, M. Golasowski, P. Silva, A. Bohm, J. Beranek, J. Krenek, B. Jansik, P. Thoman, P. Salzmann, T. Fahringer, T. Schwede, L. T. Alexander, G. Tauriello, J. Durairaj, B. Cosenza, L. Crisci, A. Emerson, F. Ficarelli, E. Lindahl, S. Wingbermühle, D. Gregori, S. Coletti, E. Sana, P. Gschwandtner
January 2024
Cite DOI
Type
Conference paper
Publication
Proceedings of the 21st ACM International Conference on Computing Frontiers 2024 Workshops and Special Sessions, CF 2024 Companion
HPC; Molecular Docking; Molecular Dynamics; Virtual Screening