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Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.
bioRxiv [Preprint]. 2022 Mar 16:2022.03.15.484484. doi: 10.1101/2022.03.15.484484.
bioRxiv. 2022.
PMID: 35313579
Free PMC article.
Updated.
Preprint.
Visualizing convolutional neural network protein-ligand scoring.
Hochuli J, Helbling A, Skaist T, Ragoza M, Koes DR.
Hochuli J, et al.
J Mol Graph Model. 2018 Sep;84:96-108. doi: 10.1016/j.jmgm.2018.06.005. Epub 2018 Jun 18.
J Mol Graph Model. 2018.
PMID: 29940506
Free PMC article.
Item in Clipboard
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
Alves VM, Capuzzi SJ, Braga RC, Korn D, Hochuli JE, Bowler KH, Yasgar A, Rai G, Simeonov A, Muratov EN, Zakharov AV, Tropsha A.
Alves VM, et al. Among authors: hochuli je.
J Chem Inf Model. 2020 Aug 24;60(8):4056-4063. doi: 10.1021/acs.jcim.0c00415. Epub 2020 Aug 2.
J Chem Inf Model. 2020.
PMID: 32678597
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Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.
Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV.
Hochuli JE, et al.
ACS Pharmacol Transl Sci. 2022 Jun 22;5(7):468-478. doi: 10.1021/acsptsci.2c00049. eCollection 2022 Jul 8.
ACS Pharmacol Transl Sci. 2022.
PMID: 35821746
Free PMC article.
Item in Clipboard
Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products.
Pelton JM, Hochuli JE, Sadecki PW, Katoh T, Suga H, Hicks LM, Muratov EN, Tropsha A, Bowers AA.
Pelton JM, et al. Among authors: hochuli je.
J Am Chem Soc. 2024 Mar 27;146(12):8016-8030. doi: 10.1021/jacs.3c11306. Epub 2024 Mar 12.
J Am Chem Soc. 2024.
PMID: 38470819
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Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles.
Rath M, Wellnitz J, Martin HJ, Melo-Filho C, Hochuli JE, Silva GM, Beasley JM, Travis M, Sessions ZL, Popov KI, Zakharov AV, Cherkasov A, Alves V, Muratov EN, Tropsha A.
Rath M, et al. Among authors: hochuli je.
J Med Chem. 2024 Apr 25;67(8):6508-6518. doi: 10.1021/acs.jmedchem.3c02446. Epub 2024 Apr 3.
J Med Chem. 2024.
PMID: 38568752
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Accurate Inference of Tree Topologies from Multiple Sequence Alignments Using Deep Learning.
Suvorov A, Hochuli J, Schrider DR.
Suvorov A, et al.
Syst Biol. 2020 Mar 1;69(2):221-233. doi: 10.1093/sysbio/syz060.
Syst Biol. 2020.
PMID: 31504938
Free PMC article.
Item in Clipboard
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search.
Kirchoff KE, Wellnitz J, Hochuli JE, Maxfield T, Popov KI, Gomez S, Tropsha A.
Kirchoff KE, et al. Among authors: hochuli je.
Adv Inf Retr. 2024 Mar;14609:34-49. doi: 10.1007/978-3-031-56060-6_3. Epub 2024 Mar 16.
Adv Inf Retr. 2024.
PMID: 38585224
Free PMC article.
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