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| Drugsniffer: an open source workflow for virtually screening billions of molecules for binding affinity to protein targets V Venkatraman, TH Colligan, GT Lesica, DR Olson, J Gaiser, ... Frontiers in Pharmacology 13, 874746, 2022 | 9 | 2022 |
| A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics 43 (1), e202300262, 2024 | 2 | 2024 |
| Molecular fingerprints are not useful in large-scale search for similarly active compounds† V Venkatraman, J Gaiser, A Roy, TJ Wheeler bioRxiv, 2022.09. 20.508800, 2022 | 2 | 2022 |
| A community effort to discover small molecule SARS-CoV-2 inhibitors J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... American Chemical Society (ACS), 2023 | | 2023 |
| Track: Machine Learning in Protein Science Geometric Deep Learning for Improved Virtual Screening J Gaiser, T Wheeler PROTEIN SCIENCE 32, 2023 | | 2023 |
| Beyond Fingerprints: Improved Representation of Chemical Compounds J Gaiser, D Olson, T Colligan, A Roy, V Venkatraman, T Wheeler PROTEIN SCIENCE 30, 127-127, 2021 | | 2021 |
| Virtual screening of 3.7 billion molecules against SARS-COV-2 targets A Roy, V Venkatraman, T Colligan, C Copeland, J Gaiser, D Olson, ... Protein Science, 123-123, 2021 | | 2021 |
