PROJECT #16515 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: 226,493

Core: GRO_A7

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:11

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
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PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:11

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 17,849 1,142,336 AMD
2 RYZEN 9 3950X 16-CORE 32 18,850 603,200 AMD
3 RYZEN 9 3900X 12-CORE 24 12,845 308,280 AMD
4 XEON CPU E5-2686 V4 @ 2.30GHZ 36 6,762 243,432 Intel
5 CORE I9-10980XE CPU @ 3.00GHZ 36 6,605 237,780 Intel
6 RYZEN 9 3900XT 12-CORE 24 9,849 236,376 AMD
7 CORE I9-7920X CPU @ 2.90GHZ 24 7,194 172,656 Intel
8 RYZEN 7 3700X 8-CORE 16 10,694 171,104 AMD
9 CORE I9-9900K CPU @ 3.60GHZ 16 9,464 151,424 Intel
10 XEON CPU X5650 @ 2.67GHZ 12 11,786 141,432 Intel
11 RYZEN THREADRIPPER 1920X 12-CORE 24 4,982 119,568 AMD
12 RYZEN 5 3600 6-CORE 12 9,602 115,224 AMD
13 RYZEN 5 3600X 6-CORE 12 8,555 102,660 AMD
14 XEON CPU E5-2660 0 @ 2.20GHZ 32 3,022 96,704 Intel
15 CORE I7-9700 CPU @ 3.00GHZ 8 11,148 89,184 Intel
16 CORE I5-10400F CPU @ 2.90GHZ 12 6,570 78,840 Intel
17 RYZEN 5 2600X SIX-CORE 12 5,823 69,876 AMD
18 XEON CPU E5-2620 V2 @ 2.10GHZ 24 2,285 54,840 Intel
19 CORE I7-7700K CPU @ 4.20GHZ 8 6,603 52,824 Intel
20 CORE I7-8705G CPU @ 3.10GHZ 8 4,562 36,496 Intel
21 CORE I3-8100 CPU @ 3.60GHZ 4 8,862 35,448 Intel
22 CORE I5-6600K CPU @ 3.50GHZ 4 7,314 29,256 Intel
23 CORE I5-8265U CPU @ 1.60GHZ 8 2,894 23,152 Intel
24 RYZEN 5 3500U 8 1,390 11,120 AMD