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Year Number of Results
2014 2
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31 results

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Page 1
Open source molecular modeling.
Pirhadi S, Sunseri J, Koes DR. Pirhadi S, et al. J Mol Graph Model. 2016 Sep;69:127-43. doi: 10.1016/j.jmgm.2016.07.008. Epub 2016 Jul 30. J Mol Graph Model. 2016. PMID: 27631126 Free PMC article. Review.
Protein-Ligand Scoring with Convolutional Neural Networks.
Ragoza M, Hochuli J, Idrobo E, Sunseri J, Koes DR. Ragoza M, et al. J Chem Inf Model. 2017 Apr 24;57(4):942-957. doi: 10.1021/acs.jcim.6b00740. Epub 2017 Apr 11. J Chem Inf Model. 2017. PMID: 28368587 Free PMC article.
Virtual Screening with Gnina 1.0.
Sunseri J, Koes DR. Sunseri J, et al. Molecules. 2021 Dec 4;26(23):7369. doi: 10.3390/molecules26237369. Molecules. 2021. PMID: 34885952 Free PMC article.
Pharmit: interactive exploration of chemical space.
Sunseri J, Koes DR. Sunseri J, et al. Nucleic Acids Res. 2016 Jul 8;44(W1):W442-8. doi: 10.1093/nar/gkw287. Epub 2016 Apr 19. Nucleic Acids Res. 2016. PMID: 27095195 Free PMC article.
3Dmol.js: molecular visualization with WebGL.
Rego N, Koes D. Rego N, et al. Bioinformatics. 2015 Apr 15;31(8):1322-4. doi: 10.1093/bioinformatics/btu829. Epub 2014 Dec 12. Bioinformatics. 2015. PMID: 25505090 Free PMC article.
Fragment oriented molecular shapes.
Hain E, Camacho CJ, Koes DR. Hain E, et al. J Mol Graph Model. 2016 May;66:143-54. doi: 10.1016/j.jmgm.2016.03.017. Epub 2016 Apr 2. J Mol Graph Model. 2016. PMID: 27085751 Free PMC article.
31 results