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Biorxiv : the Preprint Server for Biology|July 28, 2023
Functional Regulation of Aquaporin Dynamics by Lipid Bilayer CompositionAnh T P Nguyen, Austin T Weigle, Diwakar Shukla
The Journal of Physical Chemistry. B|March 2, 2011
Understanding the role of arginine as an eluent in affinity chromatography via molecular computationsDiwakar Shukla, Laura Zamolo, Carlo Cavallotti, et al.
Elife|March 11, 2026
Multiple modes of cholesterol translocation in the human Smoothened receptorPrateek D Bansal, Maia Kinnebrew, Rajat Rohatgi, et al.
Nature Communications|February 28, 2024
Functional regulation of aquaporin dynamics by lipid bilayer compositionAnh T P Nguyen, Austin T Weigle, Diwakar Shukla
Nature Communications|March 4, 2014
Activation pathway of Src kinase reveals intermediate states as targets for drug designDiwakar Shukla, Yilin Meng, Benoît Roux, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 3, 2016
Transition path theory analysis of c-Src kinase activationYilin Meng, Diwakar Shukla, Vijay S Pande, et al.
The Journal of Biological Chemistry|August 26, 2021
Role of substrate recognition in modulating strigolactone receptor selectivity in witchweedJiming Chen, Alexandra White, David C Nelson, et al.
Biorxiv : the Preprint Server for Biology|January 4, 2022
Machine learning guided design of high affinity ACE2 decoys for SARS-CoV-2 neutralizationMatthew C Chan, Kui K Chan, Erik Procko, et al.
The Journal of Physical Chemistry Letters|April 27, 2019
Dodine as a Kosmo-Chaotropic AgentDrishti Guin, Shriyaa Mittal, Brian Bozymski, et al.
Nature Communications|September 29, 2025
LassoESM a tailored language model for enhanced lasso peptide property predictionXuenan Mi, Susanna E Barrett, Douglas A Mitchell, et al.
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