RESEARCH: COVID-19
FOLDING PROJECT #16605 PROFILE
PROJECT TEAM
Manager(s): Prof. Xuhui HuangInstitution: Hong Kong University of Science and Technology
WORK UNIT INFO
Atoms: 208,201Core: OPENMM_22
Status: Public
Related Projects
TLDR; PROJECT SUMMARY AI BETA
This project uses computer simulations to study how certain drugs can block the replication of the SARS-CoV-2 virus. They're focusing on proteins nsp12, nsp14, and nsp10, which play key roles in viral reproduction. The project aims to identify existing medications that could be repurposed to fight COVID-19.
Note: This TLDR is a simplication and may not be 100% accurate.OFFICAL PROJECT DESCRIPTION
This series of GPU projects to simulation the Nonstructural protein 12 (nsp12) and Nonstructural protein 14 (nsp14) complexes.
We will screen existing FDA-approved NTP analog drugs (e.g.
Ribirine).
We aim to repurpose drugs that can inhibit SARS-CoV-2 replication 16600: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Cladribine at 3'-terminal. 16602: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP in active site 16603: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16604: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and GTP. 16605: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16606: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16607: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP.
RELATED TERMS GLOSSARY AI BETA
Nonstructural protein 12
A viral protein essential for RNA replication.
Nonstructural protein 12 (nsp12) is a vital component of the SARS-CoV-2 virus responsible for replicating its genetic material. It's like a tiny machine that makes copies of the virus's RNA, allowing it to spread and infect more cells.
Nonstructural protein 14
A viral protein involved in proofreading RNA replication.
Nonstructural protein 14 (nsp14) plays a crucial role in ensuring the accuracy of RNA replication within the SARS-CoV-2 virus. It acts like a quality control mechanism, checking for and correcting errors during the copying process.
SARS-CoV-2
Severe Acute Respiratory Syndrome Coronavirus 2
SARS-CoV-2 is the virus responsible for causing COVID-19, a respiratory illness that can range from mild to severe. It's highly contagious and spreads primarily through respiratory droplets.
NTP analog drugs
Drugs that mimic the structure of nucleoside triphosphates (NTPs), which are building blocks for viral RNA.
NTP analog drugs are a type of antiviral medication that work by interfering with the virus's ability to replicate its genetic material. They resemble the natural building blocks of viral RNA and can disrupt the replication process.
Ribirine
A nucleoside analog with antiviral activity.
Ribirine is a compound that has been shown to have antiviral properties. It can interfere with the replication of certain viruses by inhibiting key enzymes involved in the process.
FDA-approved
Drugs that have been reviewed and approved for safety and effectiveness by the US Food and Drug Administration.
FDA-approved medications have undergone rigorous testing and evaluation to ensure they are safe and effective for treating specific medical conditions. This approval process is crucial for protecting public health.
Repurpose drugs
To use existing drugs for new medical applications.
Repurposing drugs involves finding new uses for medications that have already been approved for other conditions. This can be a faster and more cost-effective approach to developing new treatments.
Inhibit
To hinder or reduce the activity of.
Inhibiting a process means slowing it down or preventing it from happening. In medicine, drugs are often designed to inhibit specific targets, such as enzymes or proteins, to treat diseases.
PROJECT FOLDING PPD AVERAGES BY GPU
Data as of Sunday, 26 April 2026 00:44:04|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|---|---|---|---|---|---|---|
| 1 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 4,101,103 | 403,427 | 10.17 | 2 hrs 22 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
Data as of Sunday, 26 April 2026 00:44:04|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|