| 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 | 849 | 2017 |
| 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 | 104 | 2018 |
| 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 | 74 | 2020 |
| 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 | 30 | 2020 |
| 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 | 12 | 2022 |
| 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 | 7 | 2024 |
| 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 | 2 | 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 | 1 | 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, ... | 1 | 2023 |
| 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 |
| 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 |
David KoesAssociate Professor, University of PittsburghVerified email at pitt.edu
