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KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

J. Jiménez, M. Škalič, G. Martínez-Rosell, and G. De Fabritiis. Journal of Chemical Information and Modeling, 58 (2): 287-296 (2018)PMID: 29309725.
DOI: 10.1021/acs.jcim.7b00650

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Gianni Capalbo

Aggy Gianni

Gianni Bomio

Gianni Brada

Gianni Monti

Other publications of authors with the same name

Computational Modeling of an Epidermal Growth Factor Receptor Single-Mutation Resistance to Cetuximab in Colorectal Cancer Treatment.I. Buch, N. Ferruz, and G. Fabritiis. Journal of Chemical Information and Modeling, 53 (12): 3123-3126 (2013)JCIM Special Issue on Generative Models for Molecular Design.K. Jr., G. Fabritiis, and G. Wei. J. Chem. Inf. Model., 60 (3): 1072 (2020)SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials.P. Eastman, P. Behara, D. Dotson, R. Galvelis, J. Herr, J. Horton, Y. Mao, J. Chodera, B. Pritchard, Y. Wang and 2 other author(s). CoRR, (2022)LigVoxel: inpainting binding pockets using 3D-convolutional neural networks.M. Skalic, A. Varela-Rial, J. Jiménez, G. Martínez-Rosell, and G. Fabritiis. Bioinform., 35 (2): 243-250 (2019)BricksRL: A Platform for Democratizing Robotics and Reinforcement Learning Research and Education with LEGO.S. Dittert, V. Moens, and G. Fabritiis. CoRR, (2024)TorchRL: A data-driven decision-making library for PyTorch.A. Bou, M. Bettini, S. Dittert, V. Kumar, S. Sodhani, X. Yang, G. Fabritiis, and V. Moens. ICLR, OpenReview.net, (2024)Equivariant Transformers for Neural Network based Molecular Potentials.P. Thölke, and G. Fabritiis. ICLR, OpenReview.net, (2022)Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series.F. Zariquiey, A. Pérez, M. Majewski, E. Gallicchio, and G. Fabritiis. J. Chem. Inf. Model., 63 (8): 2438-2444 (April 2023)TorchMD: A deep learning framework for molecular simulations.S. Doerr, M. Majewski, A. Pérez, A. Krämer, C. Clementi, F. Noé, T. Giorgino, and G. Fabritiis. CoRR, (2020)Binding-and-folding recognition of an intrinsically disordered protein using online learning molecular dynamics.P. Herrera-Nieto, A. Pérez, and G. Fabritiis. CoRR, (2023)

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Disambiguation of "De Fabritiis, Gianni"

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KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

Please choose a person to relate this publication to

Gianni Capalbo

Aggy Gianni

Gianni Bomio

Gianni Brada

Gianni Monti

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "De Fabritiis, Gianni"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

Please choose a person to relate this publication to

Gianni Capalbo

Aggy Gianni

Gianni Bomio

Gianni Brada

Gianni Monti

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
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KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks