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Rocco Meli
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Commit
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Parent(s):
a30b869
add references
Browse files- app.py +2 -0
- md/references.md +11 -0
app.py
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@@ -260,4 +260,6 @@ if __name__ == "__main__":
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load_md("acknowledgements.md"),
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)
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demo.launch()
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load_md("acknowledgements.md"),
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)
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gr.Markdown(load_md("references.md"))
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demo.launch()
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md/references.md
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## References
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* **3Dmol.js: molecular visualization with WebGL**, N. Rego, and D. R. Koes, *Bioinformatics* 2015, 31 (8), 1322-1324. DOI: [10.1093/bioinformatics/btu829](https://doi.org/10.1093/bioinformatics/btu829)
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* **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](https://pubs.acs.org/doi/full/10.1021/acs.jcim.6b00740)
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* **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](https://pubs.acs.org/doi/10.1021/acs.jcim.9b01145)
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* **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](https://doi.org/10.1021/acs.jcim.0c0041)
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* **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](https://doi.org/10.1186/s13321-021-00522-2)
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