Research section Research projects and references

Research: ENZYME-DYNAMICS Folding Project #15418

Project #15418 overview

Project Summary AI Beta

This project uses computer simulations to study how enzymes change shape. By understanding these movements, we can learn how enzymes work with other molecules, which is helpful for developing new drugs and improving our knowledge of biology.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Adrija Dutta
Institution
UIUC

Work unit

Atoms
103,643
Core
0x24
Status
Public
Source material

Official Project Description

Protein function is closely linked to its dynamic structural behavior, particularly in regions involved in molecular recognition.

Using large-scale molecular dynamics simulations, we are studying intrinsic conformational variability across a diverse set of enzymes.

By analyzing binding pocket flexibility, structural rearrangements, and transient conformations, we aim to understand how active-site dynamics influence ligand binding.

These insights can support advances in drug discovery, enzyme engineering, and a deeper understanding of protein function.

Performance data

Hardware Performance for Project 15418

Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.

Data as of Sunday, 02 August 2026 22:03:19

GPU PPD Averages

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 5080
GB203 [GeForce RTX 5080]
Nvidia GB203 23,868,536 51,687 461.79 0 hrs 3 mins
2 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 19,603,708 51,687 379.28 0 hrs 4 mins
3 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,981,405 51,687 135.07 0 hrs 11 mins
4 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 5,680,790 51,687 109.91 0 hrs 13 mins
5 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 5,119,418 51,687 99.05 0 hrs 15 mins
6 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 4,438,683 51,687 85.88 0 hrs 17 mins
7 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 3,778,079 51,687 73.10 0 hrs 20 mins
8 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,462,063 51,687 66.98 0 hrs 21 mins
9 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 2,485,518 51,687 48.09 0 hrs 30 mins
10 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,435,578 51,687 47.12 0 hrs 31 mins
11 Radeon RX 6700(XT)/6800M
Navi 22 XT-XL [Radeon RX 6700(XT)/6800M]
AMD Navi 22 XT-XL 2,373,050 51,687 45.91 0 hrs 31 mins
12 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,202,416 146,619 15.02 1 hrs 36 mins
13 Radeon RX 9060(XT)
Navi 44 [Radeon RX 9060(XT)]
AMD Navi 44 2,151,724 51,687 41.63 0 hrs 35 mins
14 RTX A2000 12GB
GA106 [RTX A2000 12GB]
Nvidia GA106 1,582,168 51,687 30.61 0 hrs 47 mins
15 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,397,589 177,505 7.87 3 hrs 3 mins
16 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,260,416 171,493 7.35 3 hrs 16 mins
17 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 534,739 51,687 10.35 2 hrs 19 mins
18 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 382,984 51,687 7.41 3 hrs 14 mins
19 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 358,322 61,518 5.82 4 hrs 7 mins
20 Radeon RX 6400/6500XT
Navi 24 [Radeon RX 6400/6500XT]
AMD Navi 24 318,962 107,979 2.95 8 hrs 7 mins
21 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 229,350 51,687 4.44 5 hrs 25 mins
22 Quadro T400 Mobile
TU117GLM [Quadro T400 Mobile]
Nvidia TU117GLM 186,265 51,687 3.60 6 hrs 40 mins
23 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 147,142 51,687 2.85 8 hrs 26 mins