PROJECT #16514 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: 226,490
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 Average |
|---|
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 3960X 24-CORE | 48 | 20,168 | 968,064 | AMD |
| 2 | RYZEN THREADRIPPER 3970X 32-CORE | 64 | 12,336 | 789,504 | AMD |
| 3 | RYZEN 9 3950X 16-CORE | 32 | 16,968 | 542,976 | AMD |
| 4 | RYZEN 9 3900X 12-CORE | 24 | 14,356 | 344,544 | AMD |
| 5 | XEON CPU E5-2686 V4 @ 2.30GHZ | 36 | 6,547 | 235,692 | Intel |
| 6 | RYZEN 9 3900XT 12-CORE | 24 | 8,944 | 214,656 | AMD |
| 7 | CORE I9-10900X CPU @ 3.70GHZ | 20 | 9,393 | 187,860 | Intel |
| 8 | CORE I9-9900K CPU @ 3.60GHZ | 16 | 8,406 | 134,496 | Intel |
| 9 | RYZEN 5 3600 6-CORE | 12 | 8,424 | 101,088 | AMD |
| 10 | RYZEN 7 2700X EIGHT-CORE | 16 | 4,303 | 68,848 | AMD |
| 11 | XEON CPU E5-2690 V2 @ 3.00GHZ | 20 | 3,190 | 63,800 | Intel |
| 12 | CORE I7-8700K CPU @ 3.70GHZ | 12 | 4,473 | 53,676 | Intel |
| 13 | XEON CPU E5-2620 V2 @ 2.10GHZ | 24 | 2,073 | 49,752 | Intel |
| 14 | CORE I9-9980HK CPU @ 2.40GHZ | 16 | 2,525 | 40,400 | Intel |
| 15 | CORE I5-9400 CPU @ 2.90GHZ | 6 | 6,719 | 40,314 | Intel |
| 16 | PHENOM II X6 1090T | 6 | 3,118 | 18,708 | AMD |
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