Publications : Medicine

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Mechanistic origin of partial agonism of tetrahydrocannabinol for cannabinoid receptors

Journal of Biological Chemistry, Volume 298, Issue 4, Article 101764, 2022.
Dutta, Soumajit and Selvam, Balaji and Das, Aditi and Shukla, Diwakar
Medicine
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Markov state modeling of membrane transport proteins.

Journal of Structural Biology, Volume 213, Issue 4, Article 107800, 2021.
Matthew C. Chan and Diwakar Shukla
MedicineMethods
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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
Experimental BiologyMedicine
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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
Medicine
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Structural architecture of a dimeric class C GPCR based on co-trafficking of sweet taste receptor subunits

Journal of Biological Chemistry, 294(13): 4759-4774, 2019
Jihye Park and Balaji Selvam and Keisuke Sanematsu and Noriatsu Shigemura and Diwakar Shukla and Erik Procko
Medicine
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Dodine as a Kosmo-Chaotropic Agent

The Journal of Physical Chemistry Letters, 10(10): 2600-2605, 2019
Drishti Guin and Shriyaa Mittal and Brian Bozymski and Diwakar Shukla and Martin Gruebele
Medicine
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Divalent cations promote TALE DNA-binding specificity

Nucleic Acids Research, 48(3): 1406-1422, 2019
Luke Cuculis and Chuankai Zhao and Zhanar Abil and Huimin Zhao and Diwakar Shukla and Charles M Schroeder
Medicine
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Universality of the Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors

Angewandte Chemie, 130(12): 3102-3107, 2018
Balaji Selvam and Zahra Shamsi and Diwakar Shukla
Medicine
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Free Energy Landscape of the Complete Transport Cycle in a Key Bacterial Transporter

ACS Central Science, 4(9): 1146-1154, 2018
Balaji Selvam and Shriyaa Mittal and Diwakar Shukla
Plant BiologyMedicine
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Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2

Biophysical Journal, 110(8): 1716-1719, 2016
Christian~R. Schwantes and Diwakar Shukla and Vijay~S. Pande
Medicine
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