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Disambiguation of "De Fabritiis, Gianni"

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Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

, , and . Proceedings of the National academy of Sciences of the United States of America, 108 (25): 10184-10189 (2011)
DOI: 10.1073/pnas.1103547108

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Gianni Capalbo

Aggy Gianni

Gianni Bomio

Gianni Brada

Gianni Monti

 

Other publications of authors with the same name

Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series., , , , and . J. Chem. Inf. Model., 63 (8): 2438-2444 (April 2023)Binding-and-folding recognition of an intrinsically disordered protein using online learning molecular dynamics., , and . CoRR, (2023)TorchMD: A deep learning framework for molecular simulations., , , , , , , and . CoRR, (2020)Equivariant Transformers for Neural Network based Molecular Potentials., and . ICLR, OpenReview.net, (2022)Computational Modeling of an Epidermal Growth Factor Receptor Single-Mutation Resistance to Cetuximab in Colorectal Cancer Treatment., , and . Journal of Chemical Information and Modeling, 53 (12): 3123-3126 (2013)LigVoxel: inpainting binding pockets using 3D-convolutional neural networks., , , , and . Bioinform., 35 (2): 243-250 (2019)JCIM Special Issue on Generative Models for Molecular Design., , and . J. Chem. Inf. Model., 60 (3): 1072 (2020)SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials., , , , , , , , , and 2 other author(s). CoRR, (2022)BricksRL: A Platform for Democratizing Robotics and Reinforcement Learning Research and Education with LEGO., , and . CoRR, (2024)KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks, , , and . Journal of Chemical Information and Modeling, 58 (2): 287-296 (2018)PMID: 29309725.