PROJECT #14903 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Sunday, 25 October 2020 01:45:35

PROJECT SUMMARY

COVID-19 PROJECT

This system is the solvated human ACE2 (Angiotensin-converting enzyme 2) and RBD (receptor-binding domain) complex involved in SARS-CoV-2 transfection. This simulation will help us to understand the major interactions responsible for binding of the RBD domain of S1 protein to human ACE2.

 

This project is managed by Matthew Chan at the Univerisity of Illinois at Urbana-Champaign.

Matthew is a Ph.D. Candidate in Prof. Diwakar Shukla's group. 

The long-term research goal of 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 regulate 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: 169,725

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 2080 Ti Rev. A Nvidia TU102 3,184,300 268,392 11.86 2 hrs 1 mins
GeForce RTX 2080 Ti Nvidia TU102 2,927,135 279,973 10.46 2 hrs 18 mins
GeForce RTX 2080 Nvidia TU104 2,603,683 269,932 9.65 2 hrs 29 mins
GeForce RTX 2080 Super Nvidia TU104 2,512,286 263,865 9.52 3 hrs 31 mins
GeForce RTX 2070 SUPER Nvidia TU104 1,974,277 246,758 8.00 3 hrs 60 mins
GeForce RTX 2060 Nvidia TU104 1,820,051 239,297 7.61 3 hrs 9 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,719,592 234,906 7.32 3 hrs 17 mins
GeForce RTX 2060 Super Nvidia TU106 1,500,325 223,705 6.71 4 hrs 35 mins
GeForce RTX 2060 Nvidia TU106 1,259,278 198,040 6.36 4 hrs 46 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 1,172,745 206,246 5.69 4 hrs 13 mins
GeForce RTX 2070 Nvidia TU106 1,170,002 194,723 6.01 4 hrs 60 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,072,816 200,596 5.35 4 hrs 29 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 936,817 190,939 4.91 5 hrs 53 mins
GeForce GTX 1080 Nvidia GP104 794,416 168,686 4.71 5 hrs 6 mins
GeForce GTX 1070 Ti Nvidia GP104 771,108 169,954 4.54 5 hrs 17 mins
GeForce GTX 1070 Nvidia GP104 723,399 175,194 4.13 6 hrs 49 mins
Radeon R9 Fury X AMD Fiji XT 645,405 168,690 3.83 6 hrs 16 mins
GeForce GTX 1060 6GB Nvidia GP106 643,807 168,917 3.81 6 hrs 18 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 476,401 150,947 3.16 8 hrs 36 mins
P106-100 Nvidia GP106 405,426 145,183 2.79 9 hrs 36 mins
GeForce GTX 1050 Ti Nvidia GP107 207,000 115,961 1.79 13 hrs 27 mins
Radeon HD 7800 AMD Pitcairn 124,875 92,881 1.34 18 hrs 51 mins
Radeon R9 200/300 Series AMD Hawaii 107,894 93,645 1.15 21 hrs 50 mins
GeForce GTX 750 Ti Nvidia GM107 100,418 91,346 1.10 22 hrs 50 mins
GeForce GTX 680 Nvidia GK104 97,081 83,103 1.17 21 hrs 33 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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