An Hybrid Approach to accelerate a Molecular Docking Application for Virtual Screening in Heterogeneous Nodes

Emanuele Vitali, Davide Gadioli, A. Beccari, C. Cavazzonio, C. Silvano, Gianluca Palermo
January 2019
Cite DOI
Type
Conference paper
Publication
ACM International Conference on Computing Frontiers 2019, CF 2019 - Proceedings
Heterogeneous Computing; HPC; Molecular Docking; OpenACC; OpenMP
Emanuele Vitali
Ph.D. Student
Davide Gadioli
Davide Gadioli
Assistant Professor

He earned his M.S. in Information Technology (2013) and Ph.D. cum laude in 2019 from Politecnico di Milano. A former Visiting Student at IBM Research (2015), he is now a postdoctoral researcher at DEIB, focusing on application autotuning, approximate computing, molecular docking, and drug discovery. He contributes to EXSCALATE software development.

Gianluca Palermo
Gianluca Palermo
Full Professor

Gianluca Palermo received the M.Sc. degree in Electronic Engineering in 2002, and the Ph.D degree in Computer Engineering in 2006 from Politecnico di Milano. He is currently an associate professor at Department of Electronics and Information Technology in the same University. Previously he was also consultant engineer in the Low Power Design Group of AST – STMicroelectronics working on network on-chip and research assistant at the Advanced Learning and Research Institute (ALaRI) of the Università della Svizzera italiana (Switzerland). His research interests include design methodologies and architectures for embedded and HPC systems, focusing on AutoTuning aspects.