User profiles for E. N. Feinberg
Evan N. FeinbergStanford University Verified email at stanford.edu Cited by 4552 |
[HTML][HTML] MoleculeNet: a benchmark for molecular machine learning
Molecular machine learning has been maturing rapidly over the last few years. Improved
methods and the presence of larger datasets have enabled machine learning algorithms to …
methods and the presence of larger datasets have enabled machine learning algorithms to …
Structural insights into µ-opioid receptor activation
…, AJ Venkatakrishnan, T Laeremans, EN Feinberg… - Nature, 2015 - nature.com
Activation of the μ-opioid receptor (μOR) is responsible for the efficacy of the most effective
analgesics. To shed light on the structural basis for μOR activation, here we report a 2.1 Å X-…
analgesics. To shed light on the structural basis for μOR activation, here we report a 2.1 Å X-…
PotentialNet for molecular property prediction
The arc of drug discovery entails a multiparameter optimization problem spanning vast length
scales. The key parameters range from solubility (angstroms) to protein–ligand binding (…
scales. The key parameters range from solubility (angstroms) to protein–ligand binding (…
Structural basis for chemokine recognition and activation of a viral G protein–coupled receptor
Chemokines are small proteins that function as immune modulators through activation of
chemokine G protein–coupled receptors (GPCRs). Several viruses also encode chemokines …
chemokine G protein–coupled receptors (GPCRs). Several viruses also encode chemokines …
Atomic convolutional networks for predicting protein-ligand binding affinity
Empirical scoring functions based on either molecular force fields or cheminformatics descriptors
are widely used, in conjunction with molecular docking, during the early stages of drug …
are widely used, in conjunction with molecular docking, during the early stages of drug …
Improvement in ADMET prediction with multitask deep featurization
EN Feinberg, E Joshi, VS Pande… - Journal of medicinal …, 2020 - ACS Publications
… More accurate prediction of ADMET end points can be a torchlight (25) guiding creative
medicinal chemists as they explore uncharted chemical space en route to the optimal molecule. …
medicinal chemists as they explore uncharted chemical space en route to the optimal molecule. …
Synthesis, pharmacokinetics, and biological use of lysine-modified single-walled carbon nanotubes
We aimed to create a more robust and more accessible standard for amine-modifying single-walled
carbon nanotubes (SWCNTs). A 1,3-cycloaddition was developed using an …
carbon nanotubes (SWCNTs). A 1,3-cycloaddition was developed using an …
[HTML][HTML] Discovery of novel brain permeable and G protein-biased beta-1 adrenergic receptor partial agonists for the treatment of neurocognitive disorders
The beta-1 adrenergic receptor (ADRB1) is a promising therapeutic target intrinsically involved
in the cognitive deficits and pathological features associated with Alzheimer’s disease (…
in the cognitive deficits and pathological features associated with Alzheimer’s disease (…
Polarized electron-nucleus scattering and parity-violating neutral-current interactions
G Feinberg - Physical Review D, 1975 - APS
The polarization asymmetry in the scattering of polarized electrons from nuclei coming from
the interference between electromagnetic interactions and parity-violating neutral-current …
the interference between electromagnetic interactions and parity-violating neutral-current …
Machine Learning Harnesses Molecular Dynamics to Discover New Opioid Chemotypes
EN Feinberg, AB Farimani, R Uprety, A Hunkele… - arXiv preprint arXiv …, 2018 - arxiv.org
Computational chemists typically assay drug candidates by virtually screening compounds
against crystal structures of a protein despite the fact that some targets, like the $\mu$ Opioid …
against crystal structures of a protein despite the fact that some targets, like the $\mu$ Opioid …