Neurotoxic reactive astrocytes induce cell death via saturated lipids KA Guttenplan, MK Weigel, P Prakash, PR Wijewardhane, P Hasel, ... Nature 599 (7883), 102-107, 2021 | 329 | 2021 |
Isotope-reinforced polyunsaturated fatty acids protect yeast cells from oxidative stress S Hill, K Hirano, VV Shmanai, BN Marbois, D Vidovic, AV Bekish, B Kay, ... Free Radical Biology and Medicine 50 (1), 130-138, 2011 | 95 | 2011 |
Spectral deep learning for prediction and prospective validation of functional groups JA Fine, AA Rajasekar, KP Jethava, G Chopra Chemical science 11 (18), 4618-4630, 2020 | 81 | 2020 |
CANDOCK: Chemical atomic network-based hierarchical flexible docking algorithm using generalized statistical potentials J Fine, J Konc, R Samudrala, G Chopra Journal of chemical information and modeling 60 (3), 1509-1527, 2020 | 56 | 2020 |
Inhibition of 12/15-lipoxygenase protects against β-cell oxidative stress and glycemic deterioration in mouse models of type 1 diabetes M Hernandez-Perez, G Chopra, J Fine, AM Conteh, RM Anderson, ... Diabetes 66 (11), 2875-2887, 2017 | 46 | 2017 |
Exchange-repulsion energy in QM/EFP CI Viquez Rojas, J Fine, LV Slipchenko The Journal of chemical physics 149 (9), 2018 | 29 | 2018 |
Identification of new FLT3 inhibitors that potently inhibit AML cell lines via an azo click-it/staple-it approach X Ma, J Zhou, C Wang, B Carter-Cooper, F Yang, E Larocque, J Fine, ... ACS Medicinal Chemistry Letters 8 (5), 492-497, 2017 | 23 | 2017 |
Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines toward Fast Multicomponent Reactions KP Jethava, J Fine, Y Chen, A Hossain, G Chopra Organic Letters 22 (21), 8480-8486, 2020 | 21 | 2020 |
Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications J Fine, R Lackner, R Samudrala, G Chopra Scientific reports 9 (1), 13155, 2019 | 18 | 2019 |
A 2‐Tyr‐1‐carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase CK Arya, S Yadav, J Fine, A Casanal, G Chopra, G Ramanathan, ... Angewandte Chemie International Edition 59 (39), 16961-16966, 2020 | 14 | 2020 |
Graph-based machine learning interprets and predicts diagnostic isomer-selective ion–molecule reactions in tandem mass spectrometry J Fine, JKY Liu, A Beck, KZ Alzarieni, X Ma, VM Boulos, HI Kenttämaa, ... Chemical Science 11 (43), 11849-11858, 2020 | 11 | 2020 |
Lemon: a framework for rapidly mining structural information from the Protein Data Bank J Fine, G Chopra Bioinformatics 35 (20), 4165-4167, 2019 | 8 | 2019 |
Combined molecular graph neural network and structural docking selects potent programmable cell death protein 1/programmable death-ligand 1 (PD-1/PD-L1) small molecule inhibitors PR Wijewardhane, KP Jethava, JA Fine, G Chopra | 7 | 2020 |
Targeting polyamine biosynthesis to stimulate beta cell regeneration in zebrafish MA Robertson, LR Padgett, JA Fine, G Chopra, TL Mastracci Islets 12 (5), 99-107, 2020 | 6 | 2020 |
Amyloid β induces lipid droplet-mediated microglial dysfunction in Alzheimer’s disease P Prakash, P Manchanda, E Paouri, K Bisht, K Sharma, PR Wijewardhane, ... bioRxiv, 2023 | 5 | 2023 |
Breaking a Strong Amide Bond: Structure and Properties of Dimethylformamidase CK Arya, S Yadav, J Fine, A Casanal, G Chopra, G Ramanathan, ... bioRxiv, 2019.12. 17.879908, 2019 | 3 | 2019 |
Accurate and automated de novo identification of molecular functional groups using deep learning architectures J Fine, A Rasjashekar, G Chopra | 3 | 2019 |
CANDOCK: Conformational Entropy Driven Analytics for Class-Specific Proteome-Wide Docking JA Fine, G Chopra Biophysical Journal 114 (3), 57a, 2018 | 3 | 2018 |
Learning Relationships between Chemical and Physical Stability for Peptide Drug Development J Fine, PR Wijewardhane, SDB Mohideen, K Smith, JR Bothe, ... Pharmaceutical Research 40 (3), 701-710, 2023 | 2 | 2023 |
Accurate prediction of inhibitor binding to HIV-1 protease using CANDOCK Z Falls, J Fine, G Chopra, R Samudrala Frontiers in Chemistry 9, 775513, 2022 | 2 | 2022 |