On the origins of three-dimensionality in drug-like molecules J Meyers, M Carter, NY Mok, N Brown Future Medicinal Chemistry 8 (14), 1753-1767, 2016 | 45 | 2016 |
Evaluation of DFO-HOPO as an octadentate chelator for zirconium-89 L Allott, C Da Pieve, J Meyers, T Spinks, DM Ciobota, G Kramer-Marek, ... Chemical Communications 53, 8529-8532, 2017 | 24 | 2017 |
Mapping the 3D structures of small molecule binding sites J Meyers, N Brown, J Blagg Journal of Cheminformatics 8 (1), 70, 2016 | 10 | 2016 |
DeeplyTough: learning structural comparison of protein binding sites M Simonovsky, J Meyers Journal of chemical information and modeling 60 (4), 2356-2366, 2020 | 8 | 2020 |
Privileged structures and polypharmacology within and between protein families J Meyers, NEA Chessum, S Ali, NY Mok, B Wilding, AE Pasqua, ... ACS medicinal chemistry letters 9 (12), 1199-1204, 2018 | 6 | 2018 |
Molecular representation learning with language models and domain-relevant auxiliary tasks B Fabian, T Edlich, H Gaspar, M Segler, J Meyers, M Fiscato, M Ahmed arXiv preprint arXiv:2011.13230, 2020 | | 2020 |