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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
---|---|
2014 | 2 |
2015 | 1 |
2021 | 3 |
2024 | 0 |
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5 results
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Page 1
Virtual Screening with Gnina 1.0.
Molecules. 2021 Dec 4;26(23):7369. doi: 10.3390/molecules26237369.
Molecules. 2021.
PMID: 34885952
Free PMC article.
SidechainNet: An all-atom protein structure dataset for machine learning.
King JE, Koes DR.
King JE, et al.
Proteins. 2021 Nov;89(11):1489-1496. doi: 10.1002/prot.26169. Epub 2021 Jul 12.
Proteins. 2021.
PMID: 34213059
Free PMC article.
Item in Clipboard
GNINA 1.0: molecular docking with deep learning.
McNutt AT, Francoeur P, Aggarwal R, Masuda T, Meli R, Ragoza M, Sunseri J, Koes DR.
McNutt AT, et al.
J Cheminform. 2021 Jun 9;13(1):43. doi: 10.1186/s13321-021-00522-2.
J Cheminform. 2021.
PMID: 34108002
Free PMC article.
Item in Clipboard
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.
Item in Clipboard
Shape-based virtual screening with volumetric aligned molecular shapes.
Koes DR, Camacho CJ.
Koes DR, et al.
J Comput Chem. 2014 Sep 30;35(25):1824-34. doi: 10.1002/jcc.23690. Epub 2014 Jul 22.
J Comput Chem. 2014.
PMID: 25049193
Free PMC article.
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