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AtSWEET13 transporter discriminates sugars by selective facial and positional substrate recognition

bioRxiv, 2022.
Austin T. Weigle and Diwakar Shukla*
Plant Biology
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Imparting selective fluorophilic interactions in redox copolymers for the electrochemically mediated capture of short-chain perfluoroalkyl substances

Journal of American Chemical Society, In press, 2023.
Anaira Román Santiago, Song Yin, Johannes Elbert, Jiho Lee, Diwakar Shukla, and Xiao Su*
Material science
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Thirty years of molecular dynamics simulations on post-translational modifications of proteins

Physical Chemistry Chemical Physics, Volume 24, Pages  26371-26397, 2022.
Austin T Weigle, Jiangyan Feng and Diwakar Shukla*
Methods
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Integration of machine learning with computational structural biology of plants

Biochemical Journal, Volume 479, Issue 8, Pages 921-928, 2022.
Jiming Chen and Diwakar Shukla*
Plant Biology
BibTeX
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Activation Mechanism of the Human Smoothened Receptor

Biophysical Journal, In press, 2023.
Prateek D. Bansal, Soumajit Dutta and Diwakar Shukla
Medicine
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Multiagent Reinforcement Learning-Based Adaptive Sampling for Conformational Dynamics of Proteins

Journal of Chemical Theory and Computation, Volume 18, Issue 9, Pages 5422-5434, 2022.
Diego E. Kleiman and Diwakar Shukla*
Methods
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Active Learning of the Conformational Ensemble of Proteins using Maximum Entropy VAMPNets

bioRxiv, doi:10.1101/2023.01.12.523801
Diego E Kleiman and Diwakar Shukla
Methods
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Reconciling Membrane Protein Simulations with Experimental DEER Spectroscopy Data

Physical Chemistry Chemical Physics, In press, 2023.
Mittal, Shriyaa and Shukla, Diwakar
Methods
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Mechanistic Basis for Enhanced Strigolactone Sensitivity in KAI2 Triple Mutant

bioRxiv, doi: 10.1101/2023.01.18.524622
Briana L Sobecks, Jiming Chen and Diwakar Shukla
Plant Biology
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Effect of Histidine Covalent Modification on Strigolactone Receptor Activation and Selectivity.

Biophysical Journal, In press, 2023.
Jiming Chen and Diwakar Shukla
Plant Biology
Publisher's website BibTeX