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
2858 2018 Structural insights into µ-opioid receptor activation W Huang, A Manglik, AJ Venkatakrishnan, T Laeremans, EN Feinberg, ...
Nature 524 (7565), 315-321, 2015
937 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
387 2018 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
329 2015 Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity J Gomes, B Ramsundar, EN Feinberg, VS Pande
arXiv preprint arXiv:1703.10603, 2017
250 2017 Improvement in ADMET Prediction with Multitask Deep Featurization E Feinberg, EM Joshi, VS Pande, A Cheng
Journal of Medicinal Chemistry, 2020
166 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
89 2013 Systems and methods for recommending relationships within a graph database E Feinberg, J Clancy
US Patent 10,318,583, 2019
76 * 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
34 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
26 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
15 2018 Machine Learning Harnesses Molecular Dynamics to Discover New EN Feinberg, AB Farimani, R Uprety, A Hunkele, GW Pasternak, ...
arXiv preprint arXiv:1803.04479, 2018
12 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 and Molecular Simulation Based Methods for Enhancing Binding and Activity Prediction EN Feinberg, VS Pande
US Patent App. 16/293,607, 2019
7 * 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
6 * 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 Binding Pathway of Opiates to AB Farimani, EN Feinberg, VS Pande
arXiv preprint arXiv:1804.08206, 2018
1 2018 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 Statistical Learning and Docking Recover the Reaction Coordinates of a GPCR E Feinberg, V Pande
Biophysical Journal 110 (3), 61a, 2016
2016 
Ron DrorStanford Universitystanford.edu üzerinde doğrulanmış e-posta adresine sahip