PROJECT #14903 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

COVID-19 PROJECT This system is the solvated human ACE2 (Angiotensin-converting enzyme 2) and RBD (receptor-binding domain) complex involved in SARS-CoV-2 transfection.

This simulation will help us to understand the major interactions responsible for binding of the RBD domain of S1 protein to human ACE2. This project is managed by Matthew Chan at the Univerisity of Illinois at Urbana-Champaign. Matthew is a Ph.D.

Candidate in Prof.

Diwakar Shukla's group.

The long-term research goal of Shukla group is to combine theory, computation, and experiments to develop quantitative models of biological phenomena relevant for health, energy and climate change.

Under the broad umbrella of molecular engineering and sciences, our research program is focused on developing a platform for understanding regulation of protein function such as elucidating mechanistic insights to regulate plant growth and development in context of global climate change.

We integrate ideas from a wide range of disciplines tied together by a vision of “dynamic” biology and its role in engineering products for human health, energy, and climate change.

https://shuklagroup.org/.

PROJECT INFO

Manager(s): Matthew Chan

Institution: University of Illinois at Urbana-Champaign

PROJECT WORK UNIT SUMMARY

Atoms: 169,725

Core: OPENMM_22

Status: Public