Folgen
Rocco Meli
Rocco Meli
ETHZ/CSCS
Bestätigte E-Mail-Adresse bei cscs.ch - Startseite
Titel
Zitiert von
Zitiert von
Jahr
GNINA 1.0: Molecular Docking with Deep Learning
A McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ...
Journal of Cheminformatics 13 (43), 2021
3262021
Reproducibility of Fluorescent Expression from Engineered Biological Constructs in E. coli
J Beal, T Haddock-Angelli, M Gershater, K De Mora, M Lizarazo, ...
PloS one 11 (3), e0150182, 2016
542016
spyrmsd: symmetry-corrected RMSD calculations in Python
R Meli, PC Biggin
Journal of Cheminformatics 12 (1), 49, 2020
512020
Scoring functions for protein-ligand binding affinity prediction using structure-based deep learning: A review
R Meli, GM Morris, PC Biggin
Frontiers in bioinformatics 2, 885983, 2022
452022
Learning protein-ligand binding affinity with atomic environment vectors
R Meli, A Anighoro, MJ Bodkin, GM Morris, PC Biggin
Journal of Cheminformatics 13 (1), 59, 2021
442021
Entos: A quantum molecular simulation package
F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ...
39*2019
A Versatile Multiple Time Step Scheme for Efficient Ab Initio Molecular Dynamics Simulations
E Liberatore, R Meli, U Rothlisberger
Journal of Chemical Theory and Computation, 2018
322018
Oxygen DX center in In0. 17Al0. 83N: Nonradiative recombination and persistent photoconductivity
R Meli, G Miceli, A Pasquarello
Applied Physics Letters 110 (7), 2017
42017
Deep learning applications in structure-based drug discovery
R Meli
University of Oxford, 2022
12022
DLA-Future: A Task-Based Linear Algebra Library Which Provides a GPU-Enabled Distributed Eigensolver
R Solcà, M Simberg, R Meli, A Invernizzi, A Reverdell, J Biddiscombe
Workshop on Asynchronous Many-Task Systems and Applications, 135-141, 2024
2024
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–10