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Das, Susanta, Merz, Kenneth M. (2024) Molecular Gas-Phase Conformational Ensembles. Journal of Chemical Information and Modeling, 64 (3) 749-760 doi:10.1021/acs.jcim.3c01309

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Gas-Phase Conformational Ensembles
JournalJournal of Chemical Information and Modeling
AuthorsDas, SusantaAuthor
Merz, Kenneth M.Author
Year2024 (February 12)Volume64
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.3c01309Search in ResearchGate
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Mindat Ref. ID17156793Long-form Identifiermindat:1:5:17156793:1
GUID0
Full ReferenceDas, Susanta, Merz, Kenneth M. (2024) Molecular Gas-Phase Conformational Ensembles. Journal of Chemical Information and Modeling, 64 (3) 749-760 doi:10.1021/acs.jcim.3c01309
Plain TextDas, Susanta, Merz, Kenneth M. (2024) Molecular Gas-Phase Conformational Ensembles. Journal of Chemical Information and Modeling, 64 (3) 749-760 doi:10.1021/acs.jcim.3c01309
In(2024, February) Journal of Chemical Information and Modeling Vol. 64 (3) American Chemical Society (ACS)

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Tanemura, Kiyoto Aramis, Das, Susanta, Merz, Kenneth M. (2021) AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations. Journal of Chemical Information and Modeling, 61 (4) 1647-1656 doi:10.1021/acs.jcim.0c01492
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Das, Susanta, Dinpazhoh, Laleh, Tanemura, Kiyoto Aramis, Merz, Kenneth M. (2023) Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input. Journal of Chemical Information and Modeling, 63 (16) 4995-5000 doi:10.1021/acs.jcim.3c00890
Merz, Kenneth M., Wei, Guo-Wei, Zhu, Feng (2024) Editorial: Machine Learning in Bio-cheminformatics. Journal of Chemical Information and Modeling, 64 (7) 2125-2128 doi:10.1021/acs.jcim.4c00444
Karmakar, Tarak, Soares, Thereza A., Merz, Kenneth M. (2024) Enhancing Coarse-Grained Models through Machine Learning. Journal of Chemical Information and Modeling, 64 (8) 2931-2932 doi:10.1021/acs.jcim.4c00537
Merz, Kenneth M., Wei, Guowei, Zhu, Feng (2024) Editorial: Cutting-Edge Methodologies in Omics Data Analysis. Journal of Chemical Information and Modeling, 64 (13) 4939-4940 doi:10.1021/acs.jcim.4c01021
Merz, Kenneth M. (2018) Investing in the Future. Journal of Chemical Information and Modeling, 58 (6) 1153 doi:10.1021/acs.jcim.8b00360
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