GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis

Emanuele Vitali, Federico Ficarelli, Mauro Bisson, Davide Gadioli, Gianmarco Accordi, Massimiliano Fatica, Andrea Rosario Beccari, Gianluca Palermo. GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis. J. Parallel Distrib. Comput., 186:104819, April 2024. [doi]

Abstract

Abstract is missing.