Identification of Monomethyl Branched-Chain Lipids by a Combination of Liquid Chromatography Tandem Mass Spectrometry and Charge-Switching Chemistries.

C. E. Randolph, Connor H Beveridge, Sanjay Iyer, S. Blanksby, S. A. McLuckey, G. Chopra

Journal of the American Society for Mass Spectrometry, 2022

Learning relationships between chemical and physical stability for drug development

Jonathan A Fine, Prageeth R Wijewardhane, Sheik Dawood Beer Mohideen, Katelyn J. Smith, J. Bothe, Y. Krishnamachari, Alexandra Andrews, P. Wuelfing, Y. Liu, G. Chopra

2022

Variability of Phenylalanine side chain conformations facilitates promiscuity of Fatty acid binding in Cockroach milk proteins

Partha Radhakrishnan Santhakumari, KanagaVijayan Dhanabalan, S. Virani, Amber Hopf-jannasch, J. Benoit, G. Chopra, R. Subramanian

bioRxiv, 2022

Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCK

Zackary Falls, Jonathan A Fine, G. Chopra, R. Samudrala

Frontiers in Chemistry, 2022

Stable and Reversible Functionalization and Super-Resolution Microscopy of Live Cell Membranes

Ahad Hossain, Joydeb Majumder, Cheng Bi, Fang Huang, G. Chopra

2021

Euglycemic diabetic ketoacidosis - a rare side effect of sodium-glucose co-transporter-2 inhibitor in a patient of type 2 diabetes mellitus with left ventricular dysfunction: a case report

Amolpreet Kaur, Parminder Singh, Gifty Singh, Gaurav Mohan, G. Chopra, R. Singh

International Journal of Advances in Medicine, 2021

Neurotoxic reactive astrocytes induce cell death via saturated lipids.

Kevin A. Guttenplan, Maya K. Weigel, P. Prakash, Prageeth R Wijewardhane, P. Hasel, Uriel Rufen-Blanchette, Alexandra E Münch, Jacob A. Blum, Jonathan A Fine, Mikaela C Neal, K. Bruce, A. Gitler, G. Chopra, S. Liddelow, B. Barres

Nature, 2021

One Scaffold, Different Organelle Sensors: pH‐Activable Fluorescent Probes for Targeting Live Microglial Cell Organelles **

Krupal P. Jethava, P. Prakash, Palak Manchanda, Harshit Arora, G. Chopra

ChemBioChem, 2021

One Scaffold, Different Organelle Sensors: pH‐Activable Fluorescent Probes for Targeting Live Microglial Cell Organelles**

Krupal P. Jethava, P. Prakash, Palak Manchanda, Harshit Arora, G. Chopra

ChemBioChem, 2021

Graph Neural Networks Bootstrapped for Synthetic Selection and Validation of Small Molecule Immunomodulators

Prageeth R Wijewardhane, Krupal P. Jethava, Jonathan A Fine, G. Chopra

2021

A 2‐Tyr‐1‐carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase

C. K. Arya, S. Yadav, Jonathan A Fine, A. Casañal, G. Chopra, G. Ramanathan, K. Vinothkumar, R. Subramanian

Angewandte Chemie, 2020

Graph-based machine learning interprets and predicts diagnostic isomer-selective ion–molecule reactions in tandem mass spectrometry†

Jonathan A Fine, Judy Kuan-Yu Liu, Armen Beck, Kawthar Z. Alzarieni, Xin Ma, Victoria M Boulos, H. Kenttämaa, G. Chopra

Chemical Science, 2020

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines toward Fast Multicomponent Reactions.

Krupal P. Jethava, Jonathan A Fine, Yingqi Chen, Ahad Hossain, G. Chopra

Organic Letters, 2020

Monitoring phagocytic uptake of amyloid β into glial cell lysosomes in real time

P. Prakash, Krupal P. Jethava, Nils Korte, P. Izquierdo, E. Favuzzi, Indigo V. L. Rose, Kevin A. Guttenplan, S. Dutta, J. Rochet, G. Fishell, S. Liddelow, D. Attwell, G. Chopra

bioRxiv, 2020

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

Prageeth R Wijewardhane, Krupal P. Jethava, Jonathan A Fine, G. Chopra

2020

Accurate and Automated de novo Identification of Molecular Functional Groups Using Deep Learning Architectures

Jonathan A Fine, Anand Rasjashekar, G. Chopra

2019

Graph Based Machine Learning Interprets Diagnostic Isomer-Selective Ion-Molecule Reactions in Tandem Mass Spectrometry

Jonathan A Fine, J. Liu, Armen Beck, Kawthar Z. Alzarieni, Xin Ma, Victoria M Boulos, H. Kenttämaa, G. Chopra

2019

Rapid, Refined, and Robust Method for Expression, Purification, and Characterization of Recombinant Human Amyloid beta 1-42

P. Prakash, Travis C. Lantz, Krupal P. Jethava, G. Chopra

Methods and Protocols, 2019