Publications

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Role of substrate recognition in modulating strigolactone receptor selectivity in witchweed

Journal of Biological Chemistry, Volume 297, Issue 4, Article 101092, 2021.
Chen, Jiming and White, Alexandra and Nelson, David E. and Shukla, Diwakar
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The shape of water in zeolites and its impact on epoxidation catalysis.

Nature Catalysis, volume 4, pages 797–808, 2021.
Daniel T. Bregante, Matthew C. Chan, Jun Zhi Tan, E. Zeynep Ayla, Christopher P. Nicholas, Diwakar Shukla and David W. Flaherty
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How antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK

Structure, Volume 29, Issue 8, Pages 922-933.e3, 2021.
Feng, Jiangyan and Selvam, Balaji and Shukla, Diwakar
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Degradation of complex arabinoxylans by human colonic Bacteroidetes

Nature communications, 12(1): 1-21, 2021
Pereira, Gabriel V and Abdel-Hamid, Ahmed M and Dutta, Soumajit and D’Alessandro-Gabazza, Corina N and Wefers, Daniel and Farris, Jacob A and Bajaj, Shiv and Wawrzak, Zdzislaw and Atomi, Haruyuki and Mackie, Roderick I and Gabazza, Esteban C and Shukla, Diwakar and Koropatkin, Nicole M and Cann, Issac
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Structure and Potential-Dependent Selectivity in Redox-Metallopolymers: Electrochemically Mediated Multicomponent Metal Separations

Advanced Functional Materials, Volume31, Issue15, 2009307, 2021
Chen, Raylin and Feng, Jiangyan and Jeon, Jemin and Sheehan, Thomas and Rüttiger, Christian and Gallei, Markus and Shukla, Diwakar and Su, Xiao
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Impact of increased membrane realism on conformational sampling of proteins

Journal of Chemical Theory and Computation, Vol. 17, Issue 8, Pages 342–5357, 2021
Weigle, Austin T. and Carr, Matthew and Shukla, Diwakar
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Structural Basis for Negative Regulation of ABA Signaling by ROP11 GTPase

bioRxiv, 2020
Zhao, Chuankai and Shukla, Diwakar
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How do brassinosteroids activate their receptors?

bioRxiv: 630640, 2020
Moffett, Alexander S and Shukla, Diwakar
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TLmutation: Predicting the Effects of Mutations Using Transfer Learning

The Journal of Physical Chemistry B, 124(19): 3845-3854, 2020
Shamsi, Zahra and Chan, Matthew and Shukla, Diwakar
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How does evolution design functional free energy landscapes of proteins? A case study on the emergence of regulation in the Cyclin Dependent Kinase family

Molecular Systems Design & Engineering, 5(1): 392-400, 2020
Zahra Shamsi and Diwakar Shukla
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