Decoding the protein–ligand interactions using parallel graph neural networks
Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A., Kumar, Neeraj
Published in Scientific reports (10.05.2022)
Published in Scientific reports (10.05.2022)
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Journal Article
3D-Scaffold: A Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds
Joshi, Rajendra P, Gebauer, Niklas W. A, Bontha, Mridula, Khazaieli, Mercedeh, James, Rhema M, Brown, James B, Kumar, Neeraj
Published in The journal of physical chemistry. B (11.11.2021)
Published in The journal of physical chemistry. B (11.11.2021)
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Journal Article
Rotary manifold for automating a paper-based Salmonella immunoassay
Carrell, Cody S, Wydallis, Rachel M, Bontha, Mridula, Boehle, Katherine E, Beveridge, J Ross, Geiss, Brian J, Henry, Charles S
Published in RSC advances (17.09.2019)
Published in RSC advances (17.09.2019)
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Journal Article
Rotary manifold for automating a paper-based immunoassay
Carrell, Cody S, Wydallis, Rachel M, Bontha, Mridula, Boehle, Katherine E, Beveridge, J. Ross, Geiss, Brian J, Henry, Charles S
Published in RSC advances (17.09.2019)
Published in RSC advances (17.09.2019)
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Journal Article
De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning
McNaughton, Andrew D, Bontha, Mridula S, Knutson, Carter R, Pope, Jenna A, Kumar, Neeraj
Year of Publication 20.05.2022
Year of Publication 20.05.2022
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Journal Article
DRUG DISCOVERY VIA REINFORCEMENT LEARNING WITH THREE-DIMENSIONAL MODELING
Kumar, Neeraj, Bontha, Mridula V.S, Pope, Jenna A, Knutson, Carter R, McNaughton, Andrew D
Year of Publication 28.03.2024
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Year of Publication 28.03.2024
Patent
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks
Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A, Kumar, Neeraj
Published in arXiv.org (30.11.2021)
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Published in arXiv.org (30.11.2021)
Paper