PROJECT #16605 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

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.

 

 

PROJECT INFO

Manager(s): Prof. Xuhui Huang

Institution: Hong Kong University of Science and Technology

PROJECT WORK UNIT SUMMARY

Atoms: 208,201

Core: OPENMM_22

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
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

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