Evan N. Feinberg
Cited by
Cited by
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
Structural insights into µ-opioid receptor activation
W Huang, A Manglik, AJ Venkatakrishnan, T Laeremans, EN Feinberg, ...
Nature 524 (7565), 315-321, 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
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
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity
J Gomes, B Ramsundar, EN Feinberg, VS Pande
arXiv preprint arXiv:1703.10603, 2017
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
Improvement in ADMET Prediction with Multitask Deep Featurization
E Feinberg, EM Joshi, VS Pande, A Cheng
Journal of Medicinal Chemistry, 2020
Systems and methods for recommending relationships within a graph database
E Feinberg, J Clancy
US Patent 10,318,583, 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
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
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
Kinetic Machine Learning Unravels Ligand-Directed Conformational Change of μ Opioid Receptor
EN Feinberg, AB Farimani, CX Hernandez, VS Pande
bioRxiv, 170886, 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
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
Machine Learning and Molecular Simulation Based Methods for Enhancing Binding and Activity Prediction
EN Feinberg, VS Pande
US Patent App. 16/293,607, 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
Dialytic Separation of Bundled, Functionalized Carbon Nanotubes from Carbonaceous Impurities
JJ Mulvey, EN Feinberg, MR McDevitt, DA Scheinberg
Crystals 4 (4), 450-465, 2014
Ligands of the mu, kappa, and delta opioid receptors
EN Feinberg, VS Pande, S Majumdar, G Pasternak
US Patent 11,213,518, 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
Statistical Learning and Docking Recover the Reaction Coordinates of a GPCR
E Feinberg, V Pande
Biophysical Journal 110 (3), 61a, 2016
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