Tools capable of predicting emergent crop phenotypes in response to climate change are needed to evaluate risk to food security and direct research efforts toward making educated decisions about which metabolic pathways to modify. Individual models are limited in their ability to provide a holistic view of plant or ecosystem response to global change. To address this limitation, we are generating a multi-scale modeling platform called Plants in silico (Psi) to provide a quantitative knowledge framework where the implications of a discovery at one level can be examined at the whole plant or even crop or natural ecosystem levels. This community effort will generate new insights into plant biology as well as new modalities for collaboration and integration among plant biologists, engineers, and computer scientists. This project is in collaboration with:

Steve Long:

James O’Dwyer:

Amy Marshall-Colon:

National Center for Supercomputing Applications (NCSA):

National Data Service (NDS):


December 7th, 2016

Group Picture time in our lab!
September 25th, 2016

Summer Intern Nikhil Sethia’s (IIT Delhi) Post on his experiences in Shukla Group.

Hello readers. I am Nikhil Sethia, a junior undergraduate majoring in Chemical Engineering at Indian Institute of Technology Delhi, India. […]

September 25th, 2016

Prof. Shukla’s talk on “Molecular Models of Nitrate Transport in Plants” at Plants in silico Symposium, 2016.

September 25th, 2016

Talk by Graduate Student Alex Moffett at 2016 Blue Waters Symposium at Sunriver Resort, Oregon.

December 21st, 2015

Research Talk by Prof. Shukla (CSE Seminar Series, Fall 2015)

October 22nd, 2015

Teaching kids about protein structure and function at Booker T. Washington STEM Academy

Our group recently visited Booker T. Washington STEM Academy in Champaign, Illinois to teach underrepresented fourth and fifth grade boys […]

July 20th, 2015

Research talk by Diwakar (Blue Waters Symposium, Jun 2015)

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July 17th, 2015

Plants in silico: a multi-scale modeling platform

Tools capable of predicting emergent crop phenotypes in response to climate change are needed to evaluate risk to food security […]

July 13th, 2015

Girls’ Adventures in Mathematics, Engineering & Sciences (GAMES) camp, 2015.

Shukla Group organized several activities related to the Computational Investigations of Protein Structure & function as part of the GAMES […]

May 30th, 2014

Central themes of our research group

Modern computational chemistry approaches have been increasingly used for obtaining molecular understanding of biological systems and the design of novel […]

March 11th, 2014

Recent paper on the key cellular signaling proteins in Cancer highlighted in several news articles

For more details read the news item below or find all the new coverage and reviews on Altmetric site here. […]

February 1st, 2014

GPCR activation work highlighted in Nature Methods and Nature Reviews Drug Discovery journals.

* Using idle computers to stretch simulations, Nature Methods, 11, 129 (2014) doi:10.1038/nmeth.2821 G protein–coupled receptors (GPCRs) control important signaling […]

January 1st, 2014

Nature Chemistry article highlighted across scientific news blogs.

Stanford News reports “Stanford and Google team up to simulate key drug receptor” Chemical & Engineering News reports “Receptor Simulation […]