PROJECT #16516 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

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.

PROJECT INFO

Manager(s): Prof. Xuhui Huang

Institution: Hong Kong University of Science and Technology

PROJECT WORK UNIT SUMMARY

Atoms: 226,497

Core: GRO_A7

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Thursday, 15 April 2021 21:00:08

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 21:00:08

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make
1 RYZEN THREADRIPPER 3970X 32-CORE 64 17,459 1,117,376 AMD
2 RYZEN THREADRIPPER 3960X 24-CORE 48 13,790 661,920 AMD
3 RYZEN 9 3950X 16-CORE 32 18,860 603,520 AMD
4 CORE I9-10900X CPU @ 3.70GHZ 20 10,360 207,200 Intel
5 CORE I9-7920X CPU @ 2.90GHZ 24 7,109 170,616 Intel
6 CORE I9-7940X CPU @ 3.10GHZ 28 5,370 150,360 Intel
7 RYZEN 7 3700X 8-CORE 16 7,800 124,800 AMD
8 RYZEN 5 3600X 6-CORE 12 9,687 116,244 AMD
9 RYZEN 7 3800X 8-CORE 16 6,067 97,072 AMD
10 XEON CPU E5-2660 0 @ 2.20GHZ 32 2,983 95,456 Intel
11 RYZEN 7 2700X EIGHT-CORE 16 4,606 73,696 AMD
12 XEON CPU E5-2690 V2 @ 3.00GHZ 20 3,478 69,560 Intel
13 CORE I7-8700K CPU @ 3.70GHZ 12 5,358 64,296 Intel
14 RYZEN 5 2600 SIX-CORE 12 4,862 58,344 AMD
15 RYZEN 5 3600 6-CORE 12 4,651 55,812 AMD
16 CORE I5-8400 CPU @ 2.80GHZ 6 8,670 52,020 Intel
17 CORE I3-6006U CPU @ 2.00GHZ 4 1,908 7,632 Intel