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Research: COVID-19 Folding Project #17313

Project #17313 overview

Project Summary AI Beta

This project studies how the SARS-CoV-2 virus attaches to human cells. Researchers are simulating proteins involved in this process, with and without sugar molecules (glycosylation). They aim to understand how glycosylation affects protein shape and binding, potentially leading to new drug design strategies.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Ivy Zhang
Institution
Memorial Sloan Kettering Cancer Center

Work unit

Atoms
39,868
Core
OPENMM_22
Status
Public
Source material

Official Project Description

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.

Performance data

Hardware Performance for Project 17313

Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.

Data as of Sunday, 02 August 2026 21:59:11

GPU PPD Averages

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 810,739 30,761 26.36 0 hrs 55 mins
2 GeForce GTX 980
GM204 [GeForce GTX 980] 4612		 Nvidia GM204 609,873 27,588 22.11 1 hrs 5 mins
3 GeForce GTX 970
GM204 [GeForce GTX 970] 3494		 Nvidia GM204 527,669 26,619 19.82 1 hrs 13 mins
4 GeForce GTX 780
GK110 [GeForce GTX 780] 3977		 Nvidia GK110 303,961 19,929 15.25 1 hrs 34 mins
5 GeForce GTX 960
GM206 [GeForce GTX 960] 2308		 Nvidia GM206 287,252 21,748 13.21 1 hrs 49 mins
6 GeForce GTX 1050 Mobile
GP107M [GeForce GTX 1050 Mobile]		 Nvidia GP107M 259,810 21,049 12.34 1 hrs 57 mins
7 GeForce GTX 680
GK104 [GeForce GTX 680] 3250		 Nvidia GK104 226,637 20,146 11.25 2 hrs 8 mins
8 Quadro M2200
GM206 [Quadro M2200]		 Nvidia GM206 224,981 20,141 11.17 2 hrs 9 mins
9 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634		 Nvidia GK104 201,769 18,930 10.66 2 hrs 15 mins
10 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389		 Nvidia GM107 140,701 17,127 8.22 2 hrs 55 mins
11 Quadro P620
GP107GL [Quadro P620]		 Nvidia GP107GL 136,132 16,913 8.05 2 hrs 59 mins
12 GeForce GTX 770
GK104 [GeForce GTX 770] 3213		 Nvidia GK104 122,185 16,340 7.48 3 hrs 13 mins
13 Quadro K2200
GM107GL [Quadro K2200]		 Nvidia GM107GL 122,169 16,357 7.47 3 hrs 13 mins
14 GeForce GT 1030
GP108 [GeForce GT 1030] 1127		 Nvidia GP108 101,498 15,252 6.65 3 hrs 36 mins
15 GeForce GTX 750
GM107 [GeForce GTX 750] 1111		 Nvidia GM107 95,572 15,135 6.31 3 hrs 48 mins
16 GeForce GTX 760
GK104 [GeForce GTX 760] 2258		 Nvidia GK104 88,361 14,726 6.00 3 hrs 60 mins
17 Quadro K1200
GM107GL [Quadro K1200]		 Nvidia GM107GL 85,165 14,483 5.88 4 hrs 5 mins
18 Quadro K620
GM107GL [Quadro K620]		 Nvidia GM107GL 56,453 12,628 4.47 5 hrs 22 mins
19 GeForce GTX 560 Ti
GF114 [GeForce GTX 560 Ti]		 Nvidia GF114 41,288 11,435 3.61 6 hrs 39 mins
20 GeForce GTX 460 v2
GF114 [GeForce GTX 460 v2] 1045.6		 Nvidia GF114 27,382 9,653 2.84 8 hrs 28 mins
21 GeForce GT 710
GK208B [GeForce GT 710] 366		 Nvidia GK208B 12,200 7,617 1.60 14 hrs 59 mins