PROJECT #17313 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects involve the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating these proteins alone and in complex with each other (and with and without glycosylation). We will build Markov State Models using the Fah simulation data, which will help us identify the metastable states of each protein/protein complex. Given these experiments, we hope to be able to explain the impact of glycosylation on RBD conformational dynamics as well as identify whether there are shifts in metastable states upon RBD:ACE2 binding. Ultimately, the knowledge gained here will help infom drug design efforts.

Note: 17313-6 replace 17307-9, as 17307-9 used a different, less stable integrator.

PROJECT INFO

Manager(s): Ivy Zhang

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://www.choderalab.org/members/#ivy-zhang

PROJECT WORK UNIT SUMMARY

Atoms: 39,868

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Wednesday, 27 January 2021 17:37:00

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce GTX 1070 Mobile
GP104M [GeForce GTX 1070 Mobile]
Nvidia GP104M 809,434 30,777 26.30 1 hrs 55 mins
2 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 588,742 26,742 22.02 1 hrs 5 mins
3 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 528,437 26,631 19.84 1 hrs 13 mins
4 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 282,055 21,627 13.04 2 hrs 50 mins
5 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]
Nvidia GP107M 259,810 21,049 12.34 2 hrs 57 mins
6 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 226,637 20,146 11.25 2 hrs 8 mins
7 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 201,730 19,034 10.60 2 hrs 16 mins
8 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 146,026 17,348 8.42 3 hrs 51 mins
9 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 136,277 16,918 8.06 3 hrs 59 mins
10 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 122,185 16,340 7.48 3 hrs 13 mins
11 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 121,757 16,333 7.45 3 hrs 13 mins
12 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 102,359 15,425 6.64 4 hrs 37 mins
13 GeForce GTX 760
GK104 [GeForce GTX 760] 2258
Nvidia GK104 88,398 14,729 6.00 4 hrs 60 mins
14 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 85,103 14,475 5.88 4 hrs 5 mins
15 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 56,550 12,647 4.47 5 hrs 22 mins
16 GeForce GTX 560 Ti
GF114 [GeForce GTX 560 Ti]
Nvidia GF114 41,288 11,435 3.61 7 hrs 39 mins
17 GeForce GTX 460 v2
GF114 [GeForce GTX 460 v2] 1045.6
Nvidia GF114 27,382 9,653 2.84 8 hrs 28 mins
18 GeForce GT 710
GK208B [GeForce GT 710] 366
Nvidia GK208B 12,559 7,683 1.63 15 hrs 41 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 27 January 2021 17:37:01

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make
 

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