Solving binding energies for the ground state protease in SARS-Cov-2
This project computes the binding energies of glutamine in order to facilitate speedups in the development of novel COVID-19 vaccines. A protease is an enzyme that works as a "hammer", breaking down particles into smaller amino acids and polypeptides. These amino acids and polypeptides then form long chains, allowing the virus to spread within the host.
When reducing the glutamine to NH₂C, we are able to simulate the binding of glutamine with a protease inhibitor.
By computing the bonding energy for the ground state toy protease, we can develop more sophisticated inhibitors that may be more effective against other Covid variants. One major way we were able to simulate the molecule was by using the Hartree-Fock approximation method, which allows us to approximate the wave function of the quantum system of specific molecules in the quantum level, like glutamine.
Team Name:
Quionizers
Project Description:
Solving binding energies for the ground state protease in SARS-Cov-2
This project computes the binding energies of glutamine in order to facilitate speedups in the development of novel COVID-19 vaccines. A protease is an enzyme that works as a "hammer", breaking down particles into smaller amino acids and polypeptides. These amino acids and polypeptides then form long chains, allowing the virus to spread within the host.
When reducing the glutamine to NH₂C, we are able to simulate the binding of glutamine with a protease inhibitor.
By computing the bonding energy for the ground state toy protease, we can develop more sophisticated inhibitors that may be more effective against other Covid variants. One major way we were able to simulate the molecule was by using the Hartree-Fock approximation method, which allows us to approximate the wave function of the quantum system of specific molecules in the quantum level, like glutamine.
Presentation:
Presentation
Business Presentation
Source code:
Github repo
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