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 |
---|