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 |
---|