PROJECT #18447 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: 90,548

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 7,094,089 216,856 32.71 1 hrs 44 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 6,841,481 221,933 30.83 1 hrs 47 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,972,190 204,057 29.27 1 hrs 49 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,300,911 195,319 27.14 1 hrs 53 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 4,785,459 192,480 24.86 1 hrs 58 mins
6 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,429,684 203,377 21.78 1 hrs 6 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,417,914 184,656 23.93 1 hrs 0 mins
8 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,409,608 184,488 23.90 1 hrs 0 mins
9 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,157,232 176,114 23.61 1 hrs 1 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,797,916 177,027 21.45 1 hrs 7 mins
11 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,768,931 174,639 21.58 1 hrs 7 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,948,960 159,315 18.51 1 hrs 18 mins
13 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 2,637,289 222,035 11.88 2 hrs 1 mins
14 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 2,356,329 141,042 16.71 1 hrs 26 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A]
Nvidia TU106 2,346,711 150,140 15.63 2 hrs 32 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,098,884 144,663 14.51 2 hrs 39 mins
17 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,087,810 144,537 14.44 2 hrs 40 mins
18 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 2,030,249 142,819 14.22 2 hrs 41 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,000,523 141,948 14.09 2 hrs 42 mins
20 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 1,780,884 133,755 13.31 2 hrs 48 mins
21 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,644,940 115,036 14.30 2 hrs 41 mins
22 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,641,370 130,637 12.56 2 hrs 55 mins
23 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,526,487 129,958 11.75 2 hrs 3 mins
24 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,506,730 128,062 11.77 2 hrs 2 mins
25 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,443,975 125,825 11.48 2 hrs 5 mins
26 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 1,426,059 130,244 10.95 2 hrs 12 mins
27 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,387,210 126,258 10.99 2 hrs 11 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,140,758 117,934 9.67 2 hrs 29 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q]
Nvidia TU106M 1,126,659 117,775 9.57 3 hrs 31 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,125,727 116,087 9.70 2 hrs 28 mins
31 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,088,607 116,469 9.35 3 hrs 34 mins
32 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 1,084,808 116,519 9.31 3 hrs 35 mins
33 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,084,079 115,523 9.38 3 hrs 33 mins
34 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 945,292 110,564 8.55 3 hrs 48 mins
35 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 846,639 99,469 8.51 3 hrs 49 mins
36 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 675,425 99,262 6.80 4 hrs 32 mins
37 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 656,137 98,283 6.68 4 hrs 36 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 652,500 97,484 6.69 4 hrs 35 mins
39 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 509,052 92,086 5.53 4 hrs 20 mins
40 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 445,048 86,553 5.14 5 hrs 40 mins
41 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 417,923 81,029 5.16 5 hrs 39 mins
42 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 357,383 80,220 4.46 5 hrs 23 mins
43 P106-090
GP106 [P106-090]
Nvidia GP106 339,127 78,631 4.31 6 hrs 34 mins
44 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 335,727 80,569 4.17 6 hrs 46 mins
45 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 212,708 67,428 3.15 8 hrs 36 mins
46 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 210,977 66,255 3.18 8 hrs 32 mins
47 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 206,098 67,652 3.05 8 hrs 53 mins
48 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 197,460 58,511 3.37 7 hrs 7 mins
49 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 191,477 65,643 2.92 8 hrs 14 mins
50 Quadro M2000
GM206GL [Quadro M2000]
Nvidia GM206GL 157,407 60,309 2.61 9 hrs 12 mins
51 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 107,612 53,938 2.00 12 hrs 2 mins
52 Quadro K620
GM107GL [Quadro K620]
Nvidia GM107GL 98,290 43,468 2.26 11 hrs 37 mins
53 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 86,950 50,250 1.73 14 hrs 52 mins
54 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 76,553 48,693 1.57 15 hrs 16 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