Shukla, Diwakar

To milliseconds and beyond: challenges in the simulation of protein folding

Lane, T. J., Shukla, D., Beauchamp, K. A., & Pande, V. S. (2013) · Current Opinion in Structural Biology

Protein Structure and DynamicsRNA and protein synthesis mechanisms

Cited by 409

Activation pathway of Src kinase reveals intermediate states as targets for drug design

Shukla, D., Meng, Y., Roux, B., & Pande, V. S. (2014) · Nature Communications

Protein Structure and DynamicsProtein Kinase Regulation and GTPase Signaling

Cited by 333

Distinct Binding Mechanisms for Allosteric Sodium Ion in Cannabinoid Receptors

Dutta, S., Selvam, B., & Shukla, D. (2022) · ACS Chemical Neuroscience

Cannabis and Cannabinoid ResearchReceptor Mechanisms and Signaling

Cited by 31

Molecular Mechanism of Brassinosteroid Perception by the Plant Growth Receptor BRI1

Aldukhi, F., Deb, A., Zhao, C., Moffett, A. S., & Shukla, D. (2020) · The Journal of Physical Chemistry B

Plant Molecular Biology ResearchProtein Structure and Dynamics

Cited by 29

Functional regulation of aquaporin dynamics by lipid bilayer composition

Nguyen, A. T. P., Weigle, A. T., & Shukla, D. (2024) · Nature Communications

Lipid Membrane Structure and BehaviorIon Transport and Channel Regulation

Cited by 21

Functional Regulation of Aquaporin Dynamics by Lipid Bilayer Composition

Nguyen, A. T. P., Weigle, A. T., & Shukla, D. (2023) · Nature Communications

Lipid Membrane Structure and BehaviorIon Transport and Channel Regulation

Cited by 21

Structural rearrangement of the intracellular gate of the serotonin transporter induced by Thr276 phosphorylation

Chan, M. C., Procko, E., & Shukla, D. (2021) · ACS Chemical Neuroscience

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 17

Structural Rearrangement of the Serotonin Transporter Intracellular Gate Induced by Thr276 Phosphorylation

Chan, M. C., Procko, E., & Shukla, D. (2022) · ACS Chemical Neuroscience

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 17

SWEET family transporters act as water conducting carrier proteins in plants

Selvam, B., Paul, A., Yu, Y.-C., Chen, L.-Q., & Shukla, D. (2024) · Journal of Chemical Information and Modeling

Ion Transport and Channel RegulationPlant nutrient uptake and metabolism

Cited by 3

SWEET Family Transporters Act as Water-Conducting Carrier Proteins in Plants

Selvam, B., Paul, A., Yu, Y.-C., Chen, L.-Q., & Shukla, D. (2025) · Journal of Chemical Information and Modeling

Ion Transport and Channel RegulationPlant nutrient uptake and metabolism

Cited by 3