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A Transition Path Theory Analysis of The Activating Transition in c-Src Kinase Domain

Faculty of 1000 (F1000)Stanford
Yilin Meng, Diwakar Shukla, Vijay Pande and Benoît Roux
Proceedings of the National Academy of Sciences, Vol. 113, No. 33, 9193–9198, 2016.

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

Faculty of 1000 (F1000)Stanford
Diwakar Shukla, Yilin Meng, Benoit Roux and Vijay S. Pande
Nature Communications, 5, Article number: 3397 (2014) doi:10.1038/ncomms4397

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways.

Faculty of 1000 (F1000)Stanford
K. J. Kohlhoff*, D. Shukla*, M. Lawrenz*, G. R. Bowman, D. E. Konerding, D. Belov, R. B. Altman & V. S. Pande
Nature Chemistry 6, 15–21 (2014) doi:10.1038/nchem.1821 *denotes co-first author