| MoleculeNet: a benchmark for molecular machine learning Z Wu, B Ramsundar, EN Feinberg, J Gomes, C Geniesse, AS Pappu, ... Chemical Science 9 (2), 513-530, 2018 | 1879 | 2018 |
| Structural insights into µ-opioid receptor activation W Huang, A Manglik, AJ Venkatakrishnan, T Laeremans, EN Feinberg, ... Nature 524 (7565), 315-321, 2015 | 836 | 2015 |
| Structural basis for chemokine recognition and activation of a viral G protein–coupled receptor JS Burg, JR Ingram, AJ Venkatakrishnan, KM Jude, A Dukkipati, ... Science 347 (6226), 1113-1117, 2015 | 294 | 2015 |
| Potentialnet for molecular property prediction EN Feinberg, D Sur, Z Wu, BE Husic, H Mai, Y Li, S Sun, J Yang, ... ACS central science 4 (11), 1520-1530, 2018 | 289 | 2018 |
| Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity J Gomes, B Ramsundar, EN Feinberg, VS Pande arXiv preprint arXiv:1703.10603, 2017 | 213 | 2017 |
| Improvement in ADMET Prediction with Multitask Deep Featurization E Feinberg, EM Joshi, VS Pande, A Cheng Journal of Medicinal Chemistry, 2020 | 109 | 2020 |
| Carbon nanotubes as vaccine scaffolds DA Scheinberg, MR McDevitt, T Dao, JJ Mulvey, E Feinberg, S Alidori Advanced drug delivery reviews 65 (15), 2016-2022, 2013 | 81 | 2013 |
| Systems and methods for recommending relationships within a graph database E Feinberg, J Clancy US Patent 10,318,583, 2019 | 69* | 2019 |
| Synthesis, pharmacokinetics, and biological use of lysine-modified single-walled carbon nanotubes JJ Mulvey, EN Feinberg, S Alidori, MR McDevitt, DA Heller, ... International journal of nanomedicine 9, 4245, 2014 | 30 | 2014 |
| Discovery of novel brain permeable and G protein-biased beta-1 adrenergic receptor partial agonists for the treatment of neurocognitive disorders B Yi, A Jahangir, AK Evans, D Briggs, K Ravina, J Ernest, AB Farimani, ... PloS one 12 (7), e0180319, 2017 | 20 | 2017 |
| Binding Pathway of Opiates to μ-Opioid Receptors Revealed by Machine Learning AB Farimani, E Feinberg, V Pande Biophysical Journal 114 (3), 62a-63a, 2018 | 11 | 2018 |
| Kinetic Machine Learning Unravels Ligand-Directed Conformational Change of μ Opioid Receptor EN Feinberg, AB Farimani, CX Hernandez, VS Pande bioRxiv, 170886, 2017 | 10 | 2017 |
| Machine Learning Harnesses Molecular Dynamics to Discover New Opioid Chemotypes EN Feinberg, AB Farimani, R Uprety, A Hunkele, GW Pasternak, ... arXiv preprint arXiv:1803.04479, 2018 | 9 | 2018 |
| Machine Learning and Molecular Simulation Based Methods for Enhancing Binding and Activity Prediction EN Feinberg, VS Pande US Patent App. 16/293,607, 2019 | 4 | 2019 |
| Synthesis of spiro-2, 6-dioxopiperazine and spiro-2, 6-dioxopyrazine scaffolds using amino acids in a three-component reaction to generate potential Sigma-1 (σ1) receptor … R Uprety, A Varadi, A Allaoa, GN Redel-Traub, TC Palmer, EN Feinberg, ... European journal of medicinal chemistry 164, 241-251, 2019 | 4 | 2019 |
| Systems and Methods for Spatial Graph Convolutions with Applications to Drug Discovery and Molecular Simulation EN Feinberg, VS Pande, B Ramsundar US Patent App. 16/293,586, 2019 | 2* | 2019 |
| Dialytic Separation of Bundled, Functionalized Carbon Nanotubes from Carbonaceous Impurities JJ Mulvey, EN Feinberg, MR McDevitt, DA Scheinberg Crystals 4 (4), 450-465, 2014 | 1 | 2014 |
| Ligands of the mu, kappa, and delta opioid receptors EN Feinberg, VS Pande, S Majumdar, G Pasternak US Patent 11,213,518, 2022 | | 2022 |
| Binding Pathway of Opiates to Opioid Receptors Revealed by Unsupervised Machine Learning AB Farimani, EN Feinberg, VS Pande arXiv preprint arXiv:1804.08206, 2018 | | 2018 |
| Statistical Learning and Docking Recover the Reaction Coordinates of a GPCR E Feinberg, V Pande Biophysical Journal 110 (3), 61a, 2016 | | 2016 |
Ron DrorStanford University在 stanford.edu 的电子邮件经过验证
