E-LIB Suche - Ergebnisse für: Decherchi, Sergio

1

Sources of biases in the in vitro testing of nanomaterials:..:

Castagnola, Valentina ; Tomati, Valeria ; Boselli, Luca...
Nanoscale Horizons. 9 (2024) 5 - p. 799-816 , 2024

2

Designing RISC-V Instruction Set Extensions for Artificial ..:

Balasubramanian, Karthikeyan Kalyanasundaram ; Salvo, Mirco Di ; Rocchia, Walter..
IEEE Access. 12 (2024) - p. 55925-55944 , 2024

Link: https://doi.org/10.1109/..

3

AMCG: a graph dual atomic-molecular conditional molecular g..:

Abate, Carlo ; Decherchi, Sergio ; Cavalli, Andrea
Machine Learning: Science and Technology. 5 (2024) 3 - p. 035004 , 2024

Link: https://doi.org/10.1088/..

4

A Systematic Mapping Study of Italian Research on Workflows:

, In: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis,

Aldinucci, Marco ; Baralis, Elena Maria ; Cardellini, Valeria... - p. 2065-2076 , 2023

Link: https://dl.acm.org/doi/1..

5

Graph neural networks for conditional de novo drug design:

Abate, Carlo ; Decherchi, Sergio ; Cavalli, Andrea
WIREs Computational Molecular Science. 13 (2023) 4 - p. , 2023

Link: https://doi.org/10.1002/..

6

On the allosteric puzzle and pocket crosstalk through compu..:

Aguti, Riccardo ; Bernetti, Mattia ; Bosio, Stefano..
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023

Link: https://doi.org/10.1063/..

7

Assessing the Effectiveness of Non-Turing Computing Paradig..:

Rocutto, Lorenzo ; Maronese, Marco ; Traversa, Fabio Lorenzo..
IEEE Access. 11 (2023) - p. 98751-98763 , 2023

Link: https://doi.org/10.1109/..

8

Ligandability and druggability assessment via machine learn..:

Di Palma, Francesco ; Abate, Carlo ; Decherchi, Sergio.
WIREs Computational Molecular Science. 13 (2023) 5 - p. , 2023

Link: https://doi.org/10.1002/..

9

Molecular Dynamics and Machine Learning Give Insights on th..:

Majumdar, Sarmistha ; Di Palma, Francesco ; Spyrakis, Francesca..
Journal of Chemical Information and Modeling. 63 (2023) 15 - p. 4814-4826 , 2023

Link: https://doi.org/10.1021/..

10

Probabilistic Pocket Druggability Prediction via One-Class ..:

Aguti, Riccardo ; Gardini, Erika ; Bertazzo, Martina..
Frontiers in Pharmacology. 13 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

11

Opportunities and Challenges for Machine Learning in Rare D..:

Decherchi, Sergio ; Pedrini, Elena ; Mordenti, Marina..
Frontiers in Medicine. 8 (2021) - p. , 2021

Link: https://doi.org/10.3389/..

12

Hybrid Improved Bird Swarm Algorithm with Extreme Learning ..:

Wu, Dongchun ; Kan, Jiarong ; Lin, Hsiung-Cheng..
Computational Intelligence and Neuroscience. 2021 (2021) - p. 1-12 , 2021

Link: https://doi.org/10.1155/..

13

Machine Learning and Enhanced Sampling Simulations for Comp..:

Bertazzo, Martina ; Gobbo, Dorothea ; Decherchi, Sergio.
Journal of Chemical Theory and Computation. 17 (2021) 8 - p. 5287-5300 , 2021

Link: https://doi.org/10.1021/..

14

Molecular Recognition by Gold Nanoparticle-Based Receptors ..:

Riccardi, Laura ; Decherchi, Sergio ; Rocchia, Walter...
The Journal of Physical Chemistry Letters. 12 (2021) 23 - p. 5616-5622 , 2021

Link: https://doi.org/10.1021/..

15

Editorial: Molecular Dynamics and Machine Learning in Drug ..:

Decherchi, Sergio ; Grisoni, Francesca ; Tiwary, Pratyush.
Frontiers in Molecular Biosciences. 8 (2021) - p. , 2021

Link: https://doi.org/10.3389/..