PROJECT #14907 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Monday, 26 October 2020 12:31:56

PROJECT SUMMARY

COVID-19 PROJECT

This system is the solvated human ACE2 (Angiotension-converting enzyme 2) and the RBD (receptor-binding domain) complex involved in SARS-CoV-2 transfection. These simulations will allow us to understand the major interactions responsible for binding of these proteins and how the protein behave in the body.

 

The long-term reseaerch goal of the Shukla group is to combine theory, computation, and experiments to develop quantitative models of biological phenomena relevant for health, energy, and climate change. Under the broad umbrella of molecular engineering and sciences, our research program is focused on developing a platform for understanding regulation of protein function such as elucidating mechanistic insights to regulat plant growth and development in context of global climate change. We integrate ideas from a wide range of disciplines tied together by a vision of "dynamic" biology and its role in engineering products for human health, energy, and climate change. https://shuklagroup.org/ 

PROJECT INFO

Manager(s): Matthew Chan

Institution: University of Illinois at Urbana-Champaign

PROJECT WORK UNIT SUMMARY

Atoms: 215,348

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

Model Make GPU PPD
(Average)
Points WU
(Average)
WUs Day
(Average)
WU Time
(Average)
GeForce RTX 3090 Nvidia GA102 6,144,610 242,321 25.36 1 hrs 57 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 4,833,172 221,942 21.78 1 hrs 6 mins
TITAN RTX Nvidia TU102 4,683,411 221,003 21.19 1 hrs 8 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 4,648,327 220,113 21.12 1 hrs 8 mins
GeForce RTX 2080 Ti Nvidia TU102 3,387,487 198,435 17.07 1 hrs 24 mins
GeForce RTX 2080 Rev. A Nvidia TU104 2,647,660 183,865 14.40 2 hrs 40 mins
GeForce RTX 2080 Super Nvidia TU104 2,635,653 182,770 14.42 2 hrs 40 mins
Quadro RTX 6000/8000 Nvidia TU102GL 2,504,237 179,702 13.94 2 hrs 43 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,502,188 180,428 13.87 2 hrs 44 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,479,322 178,721 13.87 2 hrs 44 mins
GeForce RTX 2080 Nvidia TU104 2,446,069 174,860 13.99 2 hrs 43 mins
GeForce RTX 2070 Rev. A Nvidia TU106 2,395,621 177,192 13.52 2 hrs 47 mins
GeForce GTX 1080 Ti Nvidia GP102 2,062,950 166,914 12.36 2 hrs 57 mins
GeForce RTX 2060 Super Nvidia TU106 1,966,019 165,075 11.91 2 hrs 1 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,797,340 160,830 11.18 2 hrs 9 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104BM 1,701,613 159,526 10.67 2 hrs 15 mins
GeForce RTX 2060 Nvidia TU104 1,555,322 151,634 10.26 2 hrs 20 mins
GeForce RTX 2060 Mobile Nvidia TU106M 1,526,544 152,824 9.99 2 hrs 24 mins
GeForce RTX 2060 Nvidia TU106 1,456,962 149,249 9.76 2 hrs 28 mins
GeForce RTX 2070 Nvidia TU106 1,315,929 142,258 9.25 3 hrs 36 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 1,156,216 137,515 8.41 3 hrs 51 mins
GeForce GTX 1070 Ti Nvidia GP104 1,147,558 137,401 8.35 3 hrs 52 mins
GeForce GTX 1080 Nvidia GP104 1,140,577 136,937 8.33 3 hrs 53 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,101,230 134,649 8.18 3 hrs 56 mins
Quadro P5000 Nvidia GP104GL 1,021,313 133,574 7.65 3 hrs 8 mins
GeForce GTX 980 Ti Nvidia GM200 966,774 131,095 7.37 3 hrs 15 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 955,539 128,447 7.44 3 hrs 14 mins
Tesla T4 Nvidia TU104GL 954,012 128,398 7.43 3 hrs 14 mins
GeForce GTX 1070 Nvidia GP104 881,631 126,754 6.96 3 hrs 27 mins
GeForce GTX 1060 6GB Nvidia GP106 686,668 116,775 5.88 4 hrs 5 mins
GeForce GTX 1660 Nvidia TU116 671,115 113,617 5.91 4 hrs 4 mins
P104-100 Nvidia GP104 661,216 115,495 5.73 4 hrs 12 mins
Radeon R9 Fury X AMD Fiji XT 643,870 109,921 5.86 4 hrs 6 mins
GeForce GTX 980 Nvidia GM204 603,503 107,674 5.60 4 hrs 17 mins
GeForce GTX 970 Nvidia GM204 582,765 109,555 5.32 5 hrs 31 mins
GeForce GTX 1060 3GB Nvidia GP106 555,880 106,135 5.24 5 hrs 35 mins
GeForce GTX 1650 SUPER Nvidia TU116 550,434 108,885 5.06 5 hrs 45 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 522,390 106,735 4.89 5 hrs 54 mins
Quadro P2200 Nvidia GP106GL 494,461 104,805 4.72 5 hrs 5 mins
GeForce GTX 1650 Nvidia TU116 494,449 104,598 4.73 5 hrs 5 mins
Radeon RX 5500/5500M / Pro 5500M AMD Navi 14 476,301 103,965 4.58 5 hrs 14 mins
P106-100 Nvidia GP106 450,615 101,702 4.43 5 hrs 25 mins
Radeon R9 200/300X Series AMD Hawaii 444,735 100,887 4.41 5 hrs 27 mins
GeForce GTX 1650 Mobile / Max-Q Nvidia TU117M 410,876 99,136 4.14 6 hrs 47 mins
Radeon R9 200/300 Series AMD Hawaii 377,870 94,817 3.99 6 hrs 1 mins
GeForce GTX 1050 Ti Mobile Nvidia GP107M 357,921 94,451 3.79 6 hrs 20 mins
GeForce GTX 1050 Ti Nvidia GP107 351,605 93,493 3.76 6 hrs 23 mins
GeForce GTX 960 Nvidia GM206 290,039 88,117 3.29 7 hrs 17 mins
P106-090 Nvidia GP106 288,849 87,540 3.30 7 hrs 16 mins
Quadro T1000 Mobile Nvidia TU117GLM 230,837 81,386 2.84 8 hrs 28 mins
GeForce GTX 660 Ti Nvidia GK104 185,310 74,387 2.49 10 hrs 38 mins
GeForce GTX 680 Nvidia GK104 149,675 69,731 2.15 11 hrs 11 mins
Radeon HD 7800 AMD Pitcairn 143,401 69,370 2.07 12 hrs 37 mins
GeForce GTX 760 Nvidia GK104 141,396 67,267 2.10 11 hrs 25 mins
GeForce GTX 850M Nvidia GM107 87,615 58,140 1.51 16 hrs 56 mins
GeForce GTX 670MX Nvidia GK106 87,017 52,987 1.64 15 hrs 37 mins
GeForce GTX 960M Nvidia GM107 59,821 36,869 1.62 15 hrs 48 mins

PROJECT FOLDING PPD AVERAGES BY CPU (BETA TEST)

CPU Model Make Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
 

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