Publications : Journal Article

Ancestral class-promiscuity as a driver of functional diversity in the BAHD acyltransferase family in plants

bioRxiv, 2020
Kruse, Lars H. and Weigle, Austin T. and Mart’inez-Gómez, Jesús and Chobirko, Jason D. and Schaffer, Jason E. and Bennett, Alexandra A. and Specht, Chelsea D. and Jez, Joseph M. and Shukla, Diwakar and Moghe, Gaurav D.
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The Shape of Water in Zeolites and Its Impact on Epoxidation Catalysis

ChemRxiv, 2020
Bregante, Daniel and Chan, Matthew and Tan, Jun Zhi and Ayla, E Zeynep and Nicholas, Christopher P and Shukla, Diwakar and Flaherty, David
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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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The Substrate Import Mechanism of the Human Serotonin Transporter

ChemRxiv, 2020
Chan, Matthew C Selvam, Balaji and Young, Heather J and Procko, Erik 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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FingerprintContacts: Predicting Alternative Conformations of Proteins from Coevolution

The Journal of Physical Chemistry B, 124(18): 3605-3615, 2020
Jiangyan Feng and Diwakar Shukla
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Structural consequences of multisite phosphorylation in the BAK1 kinase domain

Biophysical journal, 118(3): 698-707, 2020
Moffett, Alexander S and Shukla, Diwakar
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Computational microscopy: Revealing molecular mechanisms in plants using molecular dynamics simulations

The Plant Cell, 31(12): tpc.119.tt1219, 2019
Feng, Jiangyan and Chen, Jiming and Selvam, Balaji and Shukla, Diwakar
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