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Disambiguation of "Moretti, Rocco"

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Recent Advances in Automated Structure-Based De Novo Drug Design

, , and . Journal of Chemical Information and Modeling, 64 (6): 1794–1805 (March 2024)
DOI: 10.1021/acs.jcim.4c00247

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REvoLd: Ultra-Large Library Screening with an Evolutionary Algorithm in Rosetta, , , and . (2024)Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors, , , , , , , and . bioRxiv, (2024)Self-supervised machine learning methods for protein design improve sampling, but not the identification of high-fitness variants, , , and . (June 2024)Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery, , , , , , and . Proceedings of the AAAI Conference on Artificial Intelligence, 37 (12): 14356–14364 (June 2023)Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins, , , , , , , and . PLOS Computational Biology, 20 (3): e1011939 (March 2024)Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks, , , , , , , , , and 40 other author(s). Nat. Commun., 12 (1): 6947 (November 2021)Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions, , , , , , , , and . (2020)Recent Advances in Automated Structure-Based De Novo Drug Design, , and . Journal of Chemical Information and Modeling, 64 (6): 1794–1805 (March 2024)