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Improving the modeling of extracellular ligand binding pockets in RosettaGPCR for conformational selection, , and . Int. J. Mol. Sci., (April 2023)Identifying digenic disease genes via machine learning in the Undiagnosed Diseases Network, , , , , , , and . Am. J. Hum. Genet., 108 (10): 1946--1963 (October 2021)Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discovery, , , , , , , , , and . Front. Pharmacol., (February 2022)General purpose structure-based drug discovery neural network score functions with human-interpretable pharmacophore maps, , , and . J. Chem. Inf. Model., 61 (2): 603--620 (February 2021)Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties, , and . Front. Mol. Biosci., (February 2023)Benchmarking AlphaFold2 on peptide structure prediction, , , , and . Structure, 31 (1): 111--119.e2 (January 2023)Docking cholesterol to integral membrane proteins with Rosetta, , , and . PLoS Comput. Biol., 19 (3): e1010947 (March 2023)RosettaCM for antibodies with very long HCDR3s and low template availability, , , , and . Proteins, 89 (11): 1458--1472 (November 2021)Veratridine can bind to a site at the mouth of the channel pore at human cardiac sodium channel NaV1.5, , , , , and . Int. J. Mol. Sci., 23 (4): 2225 (February 2022)PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking, , and . PLoS One, 17 (5): e0269072 (May 2022)