RESEARCH: COVID-19
FOLDING PROJECT #14905 PROFILE

This project studies how the COVID-19 virus attaches to human cells using computer simulations. By understanding these interactions, researchers hope to develop new ways to fight the virus and other diseases. The project is part of a larger effort to use science to solve problems in health, energy, and climate change.

Note: This TLDR is a simplication and may not be 100% accurate.

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

These simulations will allow us to understand the major interactions responsible for binding of these proteins and how the protein behave in the body. The long-term reseaerch goal of the 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 regulat 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/.

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COVID-19

A highly contagious respiratory illness caused by the SARS-CoV-2 virus.

COVID-19 is a severe respiratory disease caused by a novel coronavirus. Symptoms can range from mild to life-threatening and include fever, cough, shortness of breath, and fatigue. The virus spreads through respiratory droplets released when an infected person coughs or sneezes.

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ACE2

Angiotensin-converting enzyme 2

ACE2 is an enzyme found on the surface of cells in various organs, including the lungs. It plays a role in regulating blood pressure and other physiological processes. The SARS-CoV-2 virus uses ACE2 as a receptor to enter human cells.

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RBD

Receptor-binding domain

The RBD is a specific region on the surface of the SARS-CoV-2 virus that binds to the ACE2 receptor on human cells. This binding is essential for the virus to enter and infect host cells.

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SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

SARS-CoV-2 is the virus that causes COVID-19. It is a highly contagious respiratory virus that can cause severe illness, including pneumonia and respiratory failure.

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Transfection

The process of introducing foreign DNA into cells.

Transfection is a technique used to introduce genetic material (DNA or RNA) into cells. This process can be used for various purposes, including studying gene function, producing proteins, and developing gene therapies.

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Simulations

Computer-based models that mimic real-world phenomena.

Simulations are computer programs that create virtual representations of real-world systems. They are used to study complex processes, test hypotheses, and make predictions.

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Protein

Large biomolecules essential for all biological functions.

Proteins are complex molecules made up of chains of amino acids. They play crucial roles in virtually all cellular processes, including catalyzing reactions, transporting molecules, providing structural support, and regulating gene expression.

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Plant Growth

The process of increase in size and mass of a plant.

Plant growth is the process by which plants increase in size and mass. It involves cell division, elongation, and differentiation. Various factors influence plant growth, including light, water, nutrients, temperature, and hormones.

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Climate Change

Long-term changes in global temperatures and weather patterns.

Climate change refers to significant shifts in global climate patterns over extended periods. The primary driver of current climate change is human activity, particularly the release of greenhouse gases that trap heat in the atmosphere.