PROJECT #18450 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: 218,597

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 8,464,903 681,073 12.43 2 hrs 56 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 7,701,289 665,626 11.57 2 hrs 4 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,197,953 647,914 11.11 2 hrs 10 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,454,719 629,315 10.26 2 hrs 20 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,805,237 609,668 9.52 3 hrs 31 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 5,114,016 580,360 8.81 3 hrs 43 mins
7 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 5,073,835 581,630 8.72 3 hrs 45 mins
8 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,631,155 561,817 8.24 3 hrs 55 mins
9 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 4,441,182 504,243 8.81 3 hrs 43 mins
10 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,349,550 551,222 7.89 3 hrs 2 mins
11 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 4,093,572 543,012 7.54 3 hrs 11 mins
12 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,947,725 534,997 7.38 3 hrs 15 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,305,847 496,439 6.66 4 hrs 36 mins
14 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,806,089 409,361 6.85 4 hrs 30 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A]
Nvidia TU106 2,803,621 476,866 5.88 4 hrs 5 mins
16 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 2,710,047 476,785 5.68 4 hrs 13 mins
17 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,546,157 448,775 5.67 4 hrs 14 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,325,073 463,653 5.01 5 hrs 47 mins
19 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 2,314,838 450,639 5.14 5 hrs 40 mins
20 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 2,049,771 428,932 4.78 5 hrs 1 mins
21 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,043,757 430,377 4.75 5 hrs 3 mins
22 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 2,032,770 401,483 5.06 5 hrs 44 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,996,469 429,393 4.65 5 hrs 10 mins
24 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,923,907 427,269 4.50 5 hrs 20 mins
25 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,782,031 412,987 4.31 6 hrs 34 mins
26 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,399,584 379,759 3.69 7 hrs 31 mins
27 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,363,793 376,607 3.62 7 hrs 38 mins
28 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 1,343,201 350,810 3.83 6 hrs 16 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,297,649 366,071 3.54 7 hrs 46 mins
30 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,236,136 384,003 3.22 7 hrs 27 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,148,639 358,890 3.20 7 hrs 30 mins
32 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q]
Nvidia TU106M 1,124,859 326,523 3.44 7 hrs 58 mins
33 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,079,023 354,625 3.04 8 hrs 53 mins
34 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,051,422 317,982 3.31 7 hrs 15 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,027,333 350,204 2.93 8 hrs 11 mins
36 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,006,514 343,391 2.93 8 hrs 11 mins
37 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 913,462 350,482 2.61 9 hrs 13 mins
38 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 896,222 348,976 2.57 9 hrs 21 mins
39 Radeon Instinct MI25
Vega 10 [Radeon Instinct MI25]
AMD Vega 10 835,301 319,993 2.61 9 hrs 12 mins
40 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 779,436 313,031 2.49 10 hrs 38 mins
41 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 776,738 312,775 2.48 10 hrs 40 mins
42 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 708,737 298,982 2.37 10 hrs 7 mins
43 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 667,437 296,670 2.25 11 hrs 40 mins
44 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 631,569 288,926 2.19 11 hrs 59 mins
45 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 446,277 262,722 1.70 14 hrs 8 mins
46 P106-090
GP106 [P106-090]
Nvidia GP106 433,616 257,057 1.69 14 hrs 14 mins
47 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 272,761 181,672 1.50 16 hrs 59 mins
48 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 264,295 217,915 1.21 20 hrs 47 mins
49 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 226,911 205,861 1.10 22 hrs 46 mins
50 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 211,697 201,434 1.05 23 hrs 50 mins
51 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 188,242 210,541 0.89 27 hrs 51 mins
52 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 135,593 175,291 0.77 31 hrs 2 mins
53 Quadro M2000
GM206GL [Quadro M2000]
Nvidia GM206GL 120,708 168,508 0.72 34 hrs 30 mins
54 Quadro P400
GP107GL [Quadro P400]
Nvidia GP107GL 72,358 162,055 0.45 54 hrs 45 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