Candida Manelfi

According to our database1, Candida Manelfi authored at least 10 papers between 2017 and 2024.

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Bibliography

2024
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
J. Cheminformatics, December, 2024

2023
EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2.
IEEE Trans. Emerg. Top. Comput., 2023

2022
An extreme-scale virtual screening platform for drug discovery.
Proceedings of the CF '22: 19th ACM International Conference on Computing Frontiers, Turin, Italy, May 17, 2022

2021
Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App.
J. Supercomput., 2021

"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.
J. Cheminformatics, 2021

EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers.
CoRR, 2021

2019

2018
ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors.
Bioinform., 2018


2017
The ANTAREX tool flow for monitoring and autotuning energy efficient HPC systems.
Proceedings of the 2017 International Conference on Embedded Computer Systems: Architectures, 2017


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