DeepDrug3D: classification of ligand-binding pockets in proteins with a convolutional neural network L Pu, RG Govindaraj, JM Lemoine, HC Wu, M Brylinski PLoS computational biology 15 (2), e1006718, 2019 | 108 | 2019 |
Binding site matching in rational drug design: algorithms and applications M Naderi, JM Lemoine, RG Govindaraj, OZ Kana, WP Feinstein, ... Briefings in bioinformatics 20 (6), 2167-2184, 2019 | 44 | 2019 |
Large-scale computational drug repositioning to find treatments for rare diseases RG Govindaraj, M Naderi, M Singha, J Lemoine, M Brylinski NPJ systems biology and applications 4 (1), 13, 2018 | 32 | 2018 |
eRepo-ORP: exploring the opportunity space to combat orphan diseases with existing drugs M Brylinski, M Naderi, RG Govindaraj, J Lemoine Journal of molecular biology 430 (15), 2266-2273, 2018 | 14 | 2018 |
BionoiNet: ligand-binding site classification with off-the-shelf deep neural network W Shi, JM Lemoine, AEMA Shawky, M Singha, L Pu, S Yang, ... Bioinformatics 36 (10), 3077-3083, 2020 | 11 | 2020 |