Diwakar Shukla

University of Illinois at Urbana-Champaign

Molecular Biosciences


Z. Shamsi and D. Shukla (2017): Concestor kinase activation mechanism uncovers the Cyclin dependence of CDK family kinases, (submitted)
B. Selvam, Z. Shamsi and D. Shukla (2017): Universality of sodium ions binding mechanism in GPCRs, (submitted)
Shamsi, Zahra and Moffett, Alexander S. and Shukla, Diwakar (2017): Enhanced unbiased sampling of protein dynamics using evolutionary coupling information, Scientific Reports, Vol 7, Num 1
Saurabh Shukla, Zahra Shamsi, Alexander S. Moffett, Balaji Selvam, and Diwakar Shukla (2017): Application of Hidden Markov Models in Biomolecular Simulations, Methods in Molecular Biology, Springer New York, Hidden Markov Models, pp29--41


K. Bender Moffett, S.C. Huber, and D. Shukla (2016): Conformational Engineering of αC Helix for Regulating the Activity of Plant Kinases, (submitted)
Diwakar Shukla, Ariana Peck, and Vijay S. Pande (2016): Conformational Heterogeneity of the Calmodulin Binding Interface, Nature Communications, Nature Publishing Group, Vol 7, pp10910


Moffett et al. (2015): Guiding Functional Dynamics and Dimerization of Proteins Using Evolutionary Couplings, Journal of Chemical Theory and Computation


Kai J. Kohlhoff, Diwakar Shukla, Morgan Lawrenz, Gregory R. Bowman, David E. Konerding, Dan Belov, Russ B. Altman, and Vijay S. Pande (2013): Cloud-Based Simulations on Google Exacycle Reveal Ligand Modulation of GPCR Activation Pathways, Nature Chemistry, Nature Publishing Group, Vol 6, Num 1, pp15--21