PROJECT #18449 RESEARCH FOR INFLUENZA
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Designed miniprotein therapeutics occupy the middle ground between small molecule drugs and monoclonal antibody treatments for infectious disease.

Hemagglutinin is a viral fusion protein that allows H1 influenza A (HA) to bind sialic acid on cell surfaces, as well as being involved in the post-endocytosis mechanism of cellular infection.; The Baker lab at University of Washington has developed de novo designed miniproteins that bind hemagglutinin, and developed ways to improve their binding through affinity maturation.

Many of the mutations seen in affinity-matured sequences are not directly in the binding interface, and it is unclear how these changes lead to higher affinity.

Understanding this mechanism may help us better computationally design better binders.

We aim to use molecular dynamics simulations to examine ab initio binding pathways for these miniprotein binders, and use enhanced sampling methods to study the unbinding reaction.

Pairing these methods together will provide a robust description of the complete binding reaction for this system..

PROJECT INFO

Manager(s): Dylan Novack

Institution: Temple University

Project URL: http://voelzlab.org

PROJECT WORK UNIT SUMMARY

Atoms: 137,998

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Tuesday, 16 August 2022 22:52:18

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 3090 Ti
GA102 [GeForce RTX 3090 Ti]
Nvidia GA102 7,498,766 349,794 21.44 1 hrs 7 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 6,856,013 339,268 20.21 1 hrs 11 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,971,003 322,566 18.51 1 hrs 18 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,621,599 316,838 17.74 1 hrs 21 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,229,394 311,323 16.80 1 hrs 26 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,632,383 298,941 15.50 2 hrs 33 mins
7 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,537,109 330,363 13.73 2 hrs 45 mins
8 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,446,879 295,203 15.06 2 hrs 36 mins
9 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,315,576 290,644 14.85 2 hrs 37 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,548,981 271,202 13.09 2 hrs 50 mins
11 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 3,003,991 253,401 11.85 2 hrs 1 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,868,329 251,833 11.39 2 hrs 6 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,538,036 245,498 10.34 2 hrs 19 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,403,291 236,323 10.17 2 hrs 22 mins
15 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,080,958 229,687 9.06 3 hrs 39 mins
16 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 2,073,896 229,946 9.02 3 hrs 40 mins
17 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,869,647 222,103 8.42 3 hrs 51 mins
18 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,815,478 219,311 8.28 3 hrs 54 mins
19 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 1,759,755 202,026 8.71 3 hrs 45 mins
20 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,689,057 214,419 7.88 3 hrs 3 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,645,604 212,451 7.75 3 hrs 6 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,556,923 249,233 6.25 4 hrs 51 mins
23 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,496,233 205,953 7.26 3 hrs 18 mins
24 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,311,248 190,198 6.89 3 hrs 29 mins
25 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,305,062 195,858 6.66 4 hrs 36 mins
26 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,258,154 194,029 6.48 4 hrs 42 mins
27 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,163,739 186,005 6.26 4 hrs 50 mins
28 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,162,853 190,335 6.11 4 hrs 56 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q]
Nvidia TU106M 1,020,910 181,448 5.63 4 hrs 16 mins
30 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 993,071 182,047 5.46 4 hrs 24 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 987,987 179,448 5.51 4 hrs 22 mins
32 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 885,194 179,488 4.93 5 hrs 52 mins
33 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 878,887 172,143 5.11 5 hrs 42 mins
34 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 876,912 172,272 5.09 5 hrs 43 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 853,595 167,682 5.09 5 hrs 43 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 649,143 155,593 4.17 6 hrs 45 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 644,248 154,916 4.16 6 hrs 46 mins
38 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 639,809 154,694 4.14 6 hrs 48 mins
39 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 473,762 140,183 3.38 7 hrs 6 mins
40 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 466,541 140,114 3.33 7 hrs 12 mins
41 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 381,905 142,835 2.67 9 hrs 59 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 377,633 130,435 2.90 8 hrs 17 mins
43 P106-090
GP106 [P106-090]
Nvidia GP106 335,623 124,992 2.69 9 hrs 56 mins
44 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 270,560 122,080 2.22 11 hrs 50 mins
45 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 212,709 107,461 1.98 12 hrs 7 mins
46 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 208,650 106,049 1.97 12 hrs 12 mins
47 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 175,313 90,955 1.93 12 hrs 27 mins
48 Quadro M2000
GM206GL [Quadro M2000]
Nvidia GM206GL 158,514 94,053 1.69 14 hrs 14 mins
49 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 102,583 84,291 1.22 20 hrs 43 mins
50 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 87,262 80,096 1.09 22 hrs 2 mins
51 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 83,311 85,384 0.98 25 hrs 36 mins
52 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 63,762 67,518 0.94 25 hrs 25 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 16 August 2022 22:52:18

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