Shukla Group@illinois

  • About
    The Shukla Group is located in the department of chemical and biomolecular engineering at University of Illinois, Urbana-Champaign.
    The Shukla group is focused on developing and using novel atomistic simulation approaches for understanding complex biological processes. The key areas of current interest include understanding behavior of key cellular signaling proteins involved in cancer for drug design & development, stress and energy signaling enzymes in plants etc. If you are interested in learning more about our research and available positions, please contact us!

Group News

January 2017: Graduate student Zahra Shamsi and Prof. Shukla feature in the list of excellent TAs and Teachers respectively for teaching ChBE 440 Process Control and Dynamics.

October 2016: Graduate Student Jiangyan Feng joins our group. Welcome, Jiangyan!

September 2016: Graduate Student Chuankai Zhao passes the Oral Qualifying Exam. Congratulations, Chuankai!

May 2016: Balaji Selvam presented a poster on his work at the Plants in silico symposium at NCSA and Prof. Shukla gave an invited talk at the symposium on molecular modeling of nitrate metabolism in plants.

May 2016: Graduate Student Shriyaa Mittal received the CSE fellowship from the Computational Science and Engineering Program at Illinois. Congratulations Shriyaa!

April 2016: Book chapter on the “Hidden Markov Models and their applications” accepted for publication in Methods in Molecular Biology. Congratulations to all the authors!

March 2016: Graduate students Zahra Shamsi and Saurabh Shukla gave research talks at the AIChE Midwest meeting.

January 2016: Graduate students Zahra Shamsi and Chuankai Zhao pass the oral qualifying exam. Congratulations!

December 2015: Biophysics & Quantitative Biology Graduate Student, Shriyaa Mittal joins our group. Shriyaa holds a Bachelor’s degree in Computer Science and Master’s degree in Computational Natural Science from IIIT Hyderabad, India.

October 2015: Prof. Shukla gave a seminar on our group’s research as part of the CSE (Computational Science and Engineering) Seminar Series at NCSA.

September 2015: Dr. Shukla gave a talk on “Some thoughts on the future of Molecular Dynamics” as part of the Midwest Computational Bimolecular Modeling Symposium organized by Prof. Klaus Schulten’s group at Beckman Institute.
July 2015: Shukla Group participates in the outreach activities as part of Girls’ Adventures in Mathematics, Engineering and Science (GAMES) camp at Illinois. To learn more about the GAMES camp, please visit this page.

May 2015: Diwakar recently gave research talks in Prof. Klaus Schulten’s group (Theoretical & Computational Biophysics group at Illinois; May 4) and in Blue Waters Symposium (May 12) at  Sunriver Resort, Oregon.

April 2015: Qingyuan (ChBE, MCB ’17) is selected as one of the Blue Waters Intern for the year 2015-16. Congratulations!

March 2015: Diwakar wins the Engineering Council Outstanding Advising Award. Congratulations!

Feb 2015: Paper titled “Conserve Water: A Method for the Analysis of Solvent in Molecular Dynamics” by Harrigan et al. accepted for publication in Journal of Chemical Theory and Computation.

Jan 2015: ChBE Graduate student Zahra Shamsi joins our group. Welcome Zahra!

Dec 2014: Paper on “Markov State Models Provide Insights into Dynamic Modulation of Protein Function” by Shukla et al. accepted for publication in Accounts of Chemical Research.

Dec 2014:  Paper on “Elucidating Ligand-Modulated Conformational Landscape of GPCRs Using Cloud-computing Approaches” by Shukla et al. accepted for publication in Methods in Enzymology.

Dec 2014:  Paper on “Cloud computing approaches for predicting ligand-binding poses and pathways” by Lawrenz et al. accepted for publication in Nature Scientific Reports.

Oct 2014: Diwakar gave an invited talk at the GPCR Based Drug Discovery Conference, Boston on Oct 8th. The agenda of the conference can be found here.

May 2014: Shukla Group website goes online.

March 2014: Recent paper on the key cellular signaling proteins in Cancer highlighted in several news articles. [link]

January 2014: Nature Chemistry article highlighted across scientific news blogs.[link]

Dec 2014:  Paper on “Automatic Order Parameters Selection In Markov State Models for Atomistic Understanding of Molecular Dynamics Data” by Sultan et al. accepted for publication in Journal of Chemical Theory and Computation. 

December 2016: Graduate Student Kevin Cheng joins our lab. Welcome Kevin!

December 2016: Group picture time in our lab!

November 2016: Prof. Shukla gave a talk at AIChE meeting in San Francisco.

July 2016: Graduate Student Alex Moffet gives a talk at Blue Waters Symposium at Sunriver resort, Oregon.

June 2016: Prof. Shukla features in the list of excellent teachers selected by students for teaching ChBE523, Graduate course on Heat and Mass Transfer.

May 2016: Graduate Student Zahra Shamsi selected for the Widiger Fellowship from the department of Chemical and Biomolecular Engineering. Congratulations Zahra!

April 2016: Undergraduate researcher Moeen Meigooni selected for the Illinois Scholars Undergraduate Research Program. Congratulations Moeen!

March 2016: Undergraduate student Zeynep Ali got admission offers from many top graduate programs in Chemical Engineering and Bioengineering. She will be joining the joint Bioengineering program of UCSF and Berkeley in Fall. Congratulations, Zeynep!

March 2016: Prof. Shukla gave an invited lecture on the “Protein Conformational Networks” in the IB502 Biological Networks Course taught by Prof. Amy Marshall-Colon.

March 2016: Prof. Shukla gave a talk in the Molecular Mechanics session at the ACS Annual Meeting, San Diego on “Mechanistic insights into the activation mechanism of cellular signaling proteins”.

January 2016: Prof. Shukla gave a talk in the “Physiology and Molecular Plant Biology” Seminar Series in the Department of Plant Biology and Crop Sciences at UIUC.

October 2015: Our group visited Booker T. Washington STEM Academy in Champaign to teach kids about protein structure and function. For more information about this exciting activity, read our blog post here.

October 2015: First year ChBE graduate student Chuankai “Kyle” Zhao joins our group. Welcome Kyle!

July 2015: Diwakar gave an invited talk on Brassinosteroid signaling in plants at the FASEB Science Research Conference on Protein Kinases and Protein Phosphorylation (SRC-PKPP).

July 2015: iSEE funds Plants insilico project. Check out the news article here.

June 2015: Check out Diwakar’s interview in the Spring 2015 issue of MassTransfer magazine.

June 2015: Paper titled “A network of molecular switches controls the activation of the two-component response regulator NtrC” published in Nature Communications.

June 2015: Undergraduate students Erik Saathoff and Moeen Meigooni join our group as summer interns. Welcome!

May 2015: Check out our recent Folding@home blog post.

March 2015: Diwakar is now a faculty member in the Center for Biophysics and Computational Biology and an affiliate faculty at the National Center for Supercomputing Applications.

 Feb 2015:  Diwakar is selected as one of the “Blue Waters Professor” at Illinois, an honor that comes with substantial computing and data resources on the Blue Waters Supercomputer.

 Jan 2015:  Recent article in Accounts of Chemical Research by Shukla et al.  has been selected as an ACS editor’s choice article. The selection of these articles is based on recommendations by the scientific editors of ACS journals from around the world. These articles remain open for all to access and read.

Jan 2015: Diwakar is now an affiliate faculty in the Computational Science & Engineering program at Illinois.

Dec 2014:  Biophysics graduate student Alexander Moffett joins the group. Welcome Alex !

Nov 2014: Diwakar chairs two sessions on “Molecular Modeling & Simulations of Complex Molecules” in AIChE meeting at Atlanta. He also gave a talk on “Elucidating Activation Mechanisms of Key Signaling Protein for Selective Drug Design”.