PROJECT #18448 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: 126,828

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
GA102 [GeForce RTX 3090]
Nvidia GA102 6,900,487 323,272 21.35 1 hrs 7 mins
2 GeForce RTX 3090 Ti
GA102 [GeForce RTX 3090 Ti]
Nvidia GA102 6,581,506 299,324 21.99 1 hrs 5 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,097,929 302,542 20.16 1 hrs 11 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,673,563 294,668 19.25 1 hrs 15 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,366,131 291,229 18.43 1 hrs 18 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,774,970 279,606 17.08 1 hrs 24 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,563,780 273,265 16.70 1 hrs 26 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,239,704 280,459 15.12 2 hrs 35 mins
9 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,237,460 266,222 15.92 2 hrs 30 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 4,056,130 265,551 15.27 2 hrs 34 mins
11 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,764,939 257,984 14.59 2 hrs 39 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,100,595 242,037 12.81 2 hrs 52 mins
13 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,807,202 235,792 11.91 2 hrs 1 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A]
Nvidia TU106 2,411,466 222,484 10.84 2 hrs 13 mins
15 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 2,240,483 218,631 10.25 2 hrs 21 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,168,925 215,669 10.06 2 hrs 23 mins
17 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,158,411 213,629 10.10 2 hrs 23 mins
18 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,014,064 208,033 9.68 2 hrs 29 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,966,626 208,663 9.42 3 hrs 33 mins
20 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,932,272 206,929 9.34 3 hrs 34 mins
21 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 1,875,464 209,546 8.95 3 hrs 41 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,698,479 198,403 8.56 3 hrs 48 mins
23 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,638,894 194,794 8.41 3 hrs 51 mins
24 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,487,942 190,199 7.82 3 hrs 4 mins
25 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,381,720 206,676 6.69 4 hrs 35 mins
26 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,296,825 177,674 7.30 3 hrs 17 mins
27 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,244,852 178,439 6.98 3 hrs 26 mins
28 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,186,982 176,543 6.72 4 hrs 34 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,074,894 168,766 6.37 4 hrs 46 mins
30 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,035,797 169,805 6.10 4 hrs 56 mins
31 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 1,023,123 170,208 6.01 4 hrs 60 mins
32 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 958,063 164,305 5.83 4 hrs 7 mins
33 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 917,167 161,777 5.67 4 hrs 14 mins
34 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 886,822 143,045 6.20 4 hrs 52 mins
35 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 823,414 150,599 5.47 4 hrs 23 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 714,675 148,847 4.80 5 hrs 60 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 686,563 147,096 4.67 5 hrs 9 mins
38 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 525,245 135,682 3.87 6 hrs 12 mins
39 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 472,585 129,876 3.64 7 hrs 36 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 444,812 130,794 3.40 7 hrs 3 mins
41 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 440,107 134,640 3.27 7 hrs 21 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 350,587 117,755 2.98 8 hrs 4 mins
43 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 323,666 110,797 2.92 8 hrs 13 mins
44 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 264,842 115,493 2.29 10 hrs 28 mins
45 Radeon R9 M295X
Amethyst XT [Radeon R9 M295X]
AMD Amethyst XT 231,059 102,591 2.25 11 hrs 39 mins
46 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 205,687 97,503 2.11 11 hrs 23 mins
47 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 204,343 100,333 2.04 12 hrs 47 mins
48 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 197,560 97,128 2.03 12 hrs 48 mins
49 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 191,014 105,849 1.80 13 hrs 18 mins
50 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 168,985 92,221 1.83 13 hrs 6 mins
51 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 134,304 85,305 1.57 15 hrs 15 mins
52 Quadro M2000
GM206GL [Quadro M2000]
Nvidia GM206GL 114,284 87,850 1.30 18 hrs 27 mins
53 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 83,452 63,452 1.32 18 hrs 15 mins
54 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 60,151 65,101 0.92 26 hrs 59 mins
55 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 52,530 75,204 0.70 34 hrs 22 mins
56 GeForce GTX 650 Ti
GK106 [GeForce GTX 650 Ti]
Nvidia GK106 31,205 55,859 0.56 43 hrs 58 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