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Martí-Centelles, Vicente, Piskorz, Tomasz K., Duarte, Fernanda (2024) CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of Chemical Information and Modeling, 64 (14) 5604-5616 doi:10.1021/acs.jcim.4c00355

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Reference TypeJournal (article/letter/editorial)
TitleCageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages
JournalJournal of Chemical Information and Modeling
AuthorsMartí-Centelles, VicenteAuthor
Piskorz, Tomasz K.Author
Duarte, FernandaAuthor
Year2024 (July 22)Volume64
Page(s)5604-5616Issue14
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.4c00355Search in ResearchGate
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Mindat Ref. ID17505985Long-form Identifiermindat:1:5:17505985:2
GUID0
Full ReferenceMartí-Centelles, Vicente, Piskorz, Tomasz K., Duarte, Fernanda (2024) CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of Chemical Information and Modeling, 64 (14) 5604-5616 doi:10.1021/acs.jcim.4c00355
Plain TextMartí-Centelles, Vicente, Piskorz, Tomasz K., Duarte, Fernanda (2024) CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of Chemical Information and Modeling, 64 (14) 5604-5616 doi:10.1021/acs.jcim.4c00355
In(2024, July) Journal of Chemical Information and Modeling Vol. 64 (14) American Chemical Society (ACS)

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Piskorz, Tomasz K., Martí-Centelles, Vicente, Spicer, Rebecca L., Duarte, Fernanda, Lusby, Paul J. (2023) Picking the lock of coordination cage catalysis. Chemical Science, 14 (41) 11300-11331 doi:10.1039/d3sc02586a
Young, Tom A., Martí-Centelles, Vicente, Wang, Jianzhu, Lusby, Paul J., Duarte, Fernanda (2020) Rationalizing the Activity of an “Artificial Diels-Alderase”: Establishing Efficient and Accurate Protocols for Calculating Supramolecular Catalysis. Journal Of The American Chemical Society, 142 (3) 1300-1310 doi:10.1021/jacs.9b10302
Montà-González, Giovanni, Sancenón, Félix, Martínez-Máñez, Ramón, Martí-Centelles, Vicente (2022) Purely Covalent Molecular Cages and Containers for Guest Encapsulation. Chemical Reviews, 122 (16) 13636-13708 doi:10.1021/acs.chemrev.2c00198
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