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Pharmer: efficient and exact pharmacophore search.
Koes DR, Camacho CJ. Koes DR, et al. J Chem Inf Model. 2011 Jun 27;51(6):1307-14. doi: 10.1021/ci200097m. Epub 2011 Jun 2. J Chem Inf Model. 2011. PMID: 21604800 Free PMC article.
Protein-Ligand Scoring with Convolutional Neural Networks.
Ragoza M, Hochuli J, Idrobo E, Sunseri J, Koes DR. Ragoza M, et al. Among authors: koes dr. 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.
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. Among authors: koes dr. J Cheminform. 2021 Jun 9;13(1):43. doi: 10.1186/s13321-021-00522-2. J Cheminform. 2021. PMID: 34108002 Free PMC article.
65 results