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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
J Chem Inf Model. 2024 Nov 5. doi: 10.1021/acs.jcim.4c01267. Online ahead of print.
J Chem Inf Model. 2024.
PMID: 39499532
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations.
Gutkin E, Gusev F, Gentile F, Ban F, Koby SB, Narangoda C, Isayev O, Cherkasov A, Kurnikova MG.
Gutkin E, et al. Among authors: koby sb.
Chem Sci. 2024 Apr 11;15(23):8800-8812. doi: 10.1039/d3sc06880c. eCollection 2024 Jun 12.
Chem Sci. 2024.
PMID: 38873063
Free PMC article.
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Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.
Muldoon PF, Liu C, Miller CC, Koby SB, Gamble Jarvi A, Luo TY, Saxena S, O'Keeffe M, Rosi NL.
Muldoon PF, et al. Among authors: koby sb.
J Am Chem Soc. 2018 May 23;140(20):6194-6198. doi: 10.1021/jacs.8b02192. Epub 2018 May 9.
J Am Chem Soc. 2018.
PMID: 29719954
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Rapid paper spray mass spectrometry characterization of uranium and exemplar molecular species.
Coopersmith K, Cody RB, Mannion JM, Hewitt JT, Koby SB, Wellons MS.
Coopersmith K, et al. Among authors: koby sb.
Rapid Commun Mass Spectrom. 2019 Nov 30;33(22):1695-1702. doi: 10.1002/rcm.8517.
Rapid Commun Mass Spectrom. 2019.
PMID: 31267593
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