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Research: COVID-19 Folding Project #16552

Project #16552 overview

Project Summary AI Beta

This project uses computer simulations to study how SARS-CoV-2 proteins interact with antiviral drugs. Researchers want to see if existing medications, like Ribavirin, can be repurposed to fight COVID-19 by blocking the virus's ability to replicate.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Xuhui Huang
Institution
Hong Kong University of Science and Technology

Work unit

Atoms
225,670
Core
0xa9
Status
Public
Source material

Official Project Description

This series of CPU 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 16500: This project contains simulations of nsp14-ExoN and nsp10 of the SARS-CoV-2 in complex with a short nascent RNA.

Nsp14 is in charge of proofeading of the replication SARS-CoV-2 by removing mis-incoproated nucleotides including drugs, so that it is important that NTP analog drugs (e.g.

Remdesivir) added to the nascent RNA do not get cleaved by nsp14. 16501: This project contains simulations of nsp12, nsp7, and nsp8 of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and Ribavirin Triphosphate in the active site.

We aim to examine if the drug Ribirine can inhibite the viral replicaiton of SARS-CoV-2. 16502: This project contains simulations of nsp12, nsp7 and nsp8 of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA with Ribavirin as the 3’ terminal nucleotide. 16503: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA and Cladribine Triphosphate in the active site. 16504: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA and Clofarabine Triphosphate in the active site. 16505: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA and Cordycepin Triphosphate in the active site.

16506: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA(Cladribine at 3'-terminal), and ATP in the active site.

16507: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA(Clofarabine at 3'-terminal), and ATP in the active site. 16508: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA(Cordycepin at 3'-terminal), and ATP in the active site. 16509: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Cordycepin at 3'-terminal. 16510: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Clofarabine at 3'-terminal. 16513: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and ATP in the active site. 16514: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and GTP in the active site. 16515: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and GTP in the active site with nonbonded dummy ion model. 16516: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and ATP in the active site with nonbonded dummy ion model. 16517: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and ATP in the active site. 16518: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and GTP in the active site. 16519: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and GTP. 16520: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and ATP. 16521: Nonstructural protein 12 (nsp12-RdRp & nsp7 & nsp8) of the SARS-CoV-2 in complex with the RNA template, a short nascent RNA, and GTP. 16550: Liquid-liquid Phase separation simulation for condensate and added peptide ADMA 16551: Liquid-liquid Phase separation simulation for condensate and added peptide ADMA 16552: Liquid-liquid Phase separation simulation for condensate and added peptide ARG 16553: Liquid-liquid Phase separation simulation for condensate and added peptide LYS.

Performance data

Hardware Performance for Project 16552

Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.

Data as of Sunday, 02 August 2026 22:02:10

CPU PPD Averages Beta

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 12TH GEN CORE I9-12900K 24 55,650 1,335,600 Intel
2 RYZEN 9 7900X 12-CORE 24 42,103 1,010,472 AMD
3 RYZEN 7 5800X3D 8-CORE 16 32,778 524,448 AMD
4 RYZEN 9 3900X 12-CORE 24 20,679 496,296 AMD
5 RYZEN 7 7700X 8-CORE 16 29,049 464,784 AMD
6 11TH GEN CORE I7-11700K @ 3.60GHZ 16 24,644 394,304 Intel
7 RYZEN 7 5700X 8-CORE 16 23,082 369,312 AMD
8 RYZEN 7 5800X 8-CORE 16 20,589 329,424 AMD
9 RYZEN 7 3800X 8-CORE 16 20,239 323,824 AMD
10 12TH GEN CORE I5-12600K 16 19,852 317,632 Intel
11 RYZEN 5 5600X 6-CORE 12 24,944 299,328 AMD
12 CORE I7-10700K CPU @ 3.80GHZ 16 17,263 276,208 Intel
13 RYZEN 7 5700G 16 12,489 199,824 AMD
14 CORE I7-5930K CPU @ 3.50GHZ 12 10,731 128,772 Intel
15 CORE I7-6700K CPU @ 4.00GHZ 8 11,993 95,944 Intel
16 CORE I9-8950HK CPU @ 2.90GHZ 12 7,022 84,264 Intel
17 CORE I7-10700T CPU @ 2.00GHZ 16 4,499 71,984 Intel
18 CORE I5-4590 CPU @ 3.30GHZ 4 13,669 54,676 Intel
19 CORE I7-4770HQ CPU @ 2.20GHZ 8 6,396 51,168 Intel