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Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descent

D. Del Alamo, A. Fischer, R. Moretti, N. Alexander, J. Mendenhall, N. Hyman, and J. Meiler. J. Chem. Theory Comput., 17 (1): 560--570 (January 2021)

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BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open DatabaseJ. Mendenhall, B. Brown, S. Kothiwale, and J. Meiler. J. Chem. Inf. Model., 61 (1): 189--201 (January 2021)A multitask deep-learning method for predicting membrane associations and secondary structures of proteinsB. Li, J. Mendenhall, J. Capra, and J. Meiler. J. Proteome Res., 20 (8): 4089--4100 (August 2021)Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descentD. Del Alamo, A. Fischer, R. Moretti, N. Alexander, J. Mendenhall, N. Hyman, and J. Meiler. J. Chem. Theory Comput., 17 (1): 560--570 (January 2021)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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Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descent

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Disambiguation of "Mendenhall, Jeffrey"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descent

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Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descent