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Joshua Hochuli
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Protein–ligand scoring with convolutional neural networks
M Ragoza, J Hochuli, E Idrobo, J Sunseri, DR Koes
Journal of chemical information and modeling 57 (4), 942-957, 2017
7802017
Visualizing convolutional neural network protein-ligand scoring
J Hochuli, A Helbling, T Skaist, M Ragoza, DR Koes
Journal of Molecular Graphics and Modelling 84, 96-108, 2018
992018
Accurate inference of tree topologies from multiple sequence alignments using deep learning
A Suvorov, J Hochuli, DR Schrider
Systematic biology 69 (2), 221-233, 2020
632020
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules
VM Alves, SJ Capuzzi, RC Braga, D Korn, JE Hochuli, KH Bowler, ...
Journal of Chemical Information and Modeling 60 (8), 4056-4063, 2020
292020
Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents
JE Hochuli, S Jain, C Melo-Filho, ZL Sessions, T Bobrowski, J Choe, ...
ACS Pharmacology & Translational Science 5 (7), 468-478, 2022
92022
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles
M Rath, J Wellnitz, HJ Martin, C Melo-Filho, JE Hochuli, GM Silva, ...
Journal of Medicinal Chemistry 67 (8), 6508-6518, 2024
12024
Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products
JM Pelton, JE Hochuli, PW Sadecki, T Katoh, H Suga, LM Hicks, ...
Journal of the American Chemical Society 146 (12), 8016-8030, 2024
12024
AI-driven discovery of synergistic drug combinations against pancreatic cancer
M Pourmousa, S Jain, E Barnaeva, W Jin, J Hochuli, Z Itkin, T Maxfield, ...
2024
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search
KE Kirchoff, J Wellnitz, JE Hochuli, T Maxfield, KI Popov, S Gomez, ...
European Conference on Information Retrieval, 34-49, 2024
2024
One size does not fit all: revising traditional paradigms for QSAR-based virtual screenings.
J Wellnitz, S Jain, J Hochuli, T Maxfield, E Muratov, A Tropsha, ...
2023
The N-ary in the Coal Mine: Avoiding Mixture Model Failure with Proper Validation
T Maxfield, J Hochuli, J Wellnitz, C Melo-Filho, KI Popov, E Muratov, ...
arXiv preprint arXiv:2308.06347, 2023
2023
Discovery of Potential GSK-3β Allosteric Modulators for Alzheimer’s Disease
GM Silva, VM Alves, SQ Gomes, JE Hochuli, E Muratov, A Tropsha, ...
2023
Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles
M Rath, J Wellnitz, HJ Martin, C Melo-Filho, J Hochuli, GM da Silva, ...
2023
Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents (preprint)
JE Hochuli, S Jain, C Melo-Filho, Z Sessions, T Bobrowski, J Choe, ...
2022
Visualizing convolutional neural network scoring of protein-ligand binding
J Hochuli, A Helbling, M Ragoza, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
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Articles 1–15