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A newer version of the Gradio SDK is available:
5.23.1
References
3Dmol.js: molecular visualization with WebGL, N. Rego, and D. R. Koes, Bioinformatics 2015, 31 (8), 1322-1324. DOI: 10.1093/bioinformatics/btu829
Protein-Ligand Scoring with Convolutional Neural Networks, M. Ragoza, J. Hochuli, E. Idrobo, J. Sunseri, and D. R. Koes, J. Chem. Inf. Model. 2017, 57 (4), 942-957. DOI: 10.1021/acs.jcim.6b00740
libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications, J. Sunseri and D. R. Koes, J. Chem. Inf. Model. 2020, 60 (3), 1079-1084. DOI: 10.1021/acs.jcim.9b01145
Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design, P. G. Francoeur, T. Masuda, J. Sunseri, A. Jia, R. B. Iovanisci, I. Snyder, and D. R. Koes, *J. Chem. Inf. Model. 2020, 60 (9), 4200-4215. DOI: 10.1021/acs.jcim.0c00411
GNINA 1.0: molecular docking with deep learning, A. T. McNutt, P. Francoeur, R. Aggarwal, T. Masuda, R. Meli, M. Ragoza, J. Sunseri, D. R. Koes, J. Cheminform. 2021, 13 (43). DOI: 10.1186/s13321-021-00522-2