Diwakar Shukla

University of Illinois at Urbana-Champaign

Biophysics

2017

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, Springer Nature, 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

2016

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

2013

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

18 students selected for Blue Waters Student Internship Program

Shodor and the Blue Waters project have selected 18 undergraduate students from across the country to participate in the Blue Waters Student Internship Program for 2017-2018. Interns will learn to apply high-performance computing to problems in science, mathematics, and engineering through the year-long program. Their experience will begin in late May with a two-week Petascale Institute at the National Center for Supercomputing Applications (NCSA)..

22 students selected for Blue Waters Student Internship Program

Shodor and the Blue Waters project have selected 19 undergraduate students and three graduate students from across the country to participate in the Blue Waters Student Internship Program for 2015-2016. Interns will learn to apply high-performance computing to problems in science, mathematics, and engineering through the year-long program. Their experience will begin later this month with a two-week Petascale Institute at the National Center for Supercomputing Applications (NCSA)..

Blue Waters Illinois allocations awarded to 26 research teams

Twenty-six research teams at the University of Illinois at Urbana-Champaign have been allocated computation time on the National Center for Supercomputing Application's (NCSA) sustained-petascale Blue Waters supercomputer after applying in Fall 2016. These allocations range from 25,000 to 600,000 node-hours of compute time over a time span of either six months or one year. The research pursuits of these teams are incredibly diverse, ranging anywhere from physics to political science..