Emanuele Vitali

CSC - IT Center for Science (Finland) — Finland

Computer Science · Physical Sciences

9h-index286citations43works1.82yr avg
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Research Topics

Computational Drug Discovery Methods(20), Protein Structure and Dynamics(11), Innovative Microfluidic and Catalytic Techniques Innovation(8), Parallel Computing and Optimization Techniques(6), Machine Learning in Materials Science(6)

Publications42 total

Global Kilometre-Scale Climate Storylines Using Spectral Nudging   
2026
Global Storyline Simulations at the Kilometre-scale
2024· 5 citedOpen Access
LIGATE - LIgand Generator and portable drug discovery platform AT Exascale
2024· 1 citedOpen Access
Enabling performance portability on the LiGen drug discovery pipeline
Future Generation Computer Systems·2024· 3 citedOpen Access
Mapping peripheral biological pathways associated with long-lasting effects of early life stress: a transcriptomic set-based approach
Neuroscience Applied·2024Open Access
GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis
Journal of Parallel and Distributed Computing·2023· 15 citedOpen Access
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
Expert Opinion on Drug Discovery·2023· 9 citedOpen Access
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale
2023· 4 citedOpen Access
Improving computation efficiency using input and architecture features for a virtual screening application
arXiv (Cornell University)·2023· 1 citedOpen Access
GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis
arXiv (Cornell University)·2022· 1 citedOpen Access
EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2
IEEE Transactions on Emerging Topics in Computing·2022· 30 citedOpen Access
An Extreme-Scale Virtual Screening Platform for Drug Discovery
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Towards a Portable Drug Discovery Pipeline with SYCL 2020
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
An extreme-scale virtual screening platform for drug discovery
2022· 7 citedOpen Access
Towards a Portable Drug Discovery Pipeline with SYCL 2020
International Workshop on OpenCL·2022· 5 cited
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
Pharmaceuticals·2022· 64 citedOpen Access
Dynamic Network Selection for the Object Detection Task: Why It Matters and What We (Didn’t) Achieve.
Lecture notes in computer science·2022
Understanding the I/O Impact on the Performance of High-Throughput Molecular Docking
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
Understanding the I/O Impact on the Performance of High-Throughput Molecular Docking
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
A Review on Parallel Virtual Screening Softwares for High Performance Computers
arXiv (Cornell University)·2021Open Access
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Frequent Co-authors

Gianluca Palermo(36), Davide Gadioli(33), Andrea R. Beccari(21), Cristina Silvano(19), Federico Ficarelli(10), Carlo Cavazzoni(10), Carmine Talarico(8), Candida Manelfi(7), Luigi Crisci(6), Biagio Cosenza(6), Jan Martinovič(5), Gianmarco Accordi(5), Chiara Latini(4), Martin Golasowski(4), Stefano Markidis(3), João Bispo(3), Pedro Pintó(3), Kateřina Slaninová(3), João M. P. Cardoso(3), Mauro Bisson(3)