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Rosetta's predictive ability for low-affinity ligand binding in fragment-based drug discovery

E. Okwei, S. Smith, B. Bender, B. Allison, S. Ganguly, A. Geanes, X. Zhang, K. Ledwitch, and J. Meiler. Biochemistry, 62 (3): 700--709 (February 2023)

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Rosetta's predictive ability for low-affinity ligand binding in fragment-based drug discoveryE. Okwei, S. Smith, B. Bender, B. Allison, S. Ganguly, A. Geanes, X. Zhang, K. Ledwitch, and J. Meiler. Biochemistry, 62 (3): 700--709 (February 2023)Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discoveryB. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, Jr, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Front. Pharmacol., (February 2022)General purpose structure-based drug discovery neural network score functions with human-interpretable pharmacophore mapsB. Brown, J. Mendenhall, A. Geanes, and J. Meiler. J. Chem. Inf. Model., 61 (2): 603--620 (February 2021)

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Rosetta's predictive ability for low-affinity ligand binding in fragment-based drug discovery

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copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Rosetta's predictive ability for low-affinity ligand binding in fragment-based drug discovery

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Rosetta's predictive ability for low-affinity ligand binding in fragment-based drug discovery