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 Saturday, 03 October 2026 18:29:14

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
GA104 [GeForce RTX 3070]
Nvidia GA104 11,705,108 51,687 226.46 0 hrs 6 mins
4 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 9,040,644 51,687 174.91 0 hrs 8 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 8,202,419 51,687 158.69 0 hrs 9 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 7,664,381 51,687 148.28 0 hrs 10 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,981,405 51,687 135.07 0 hrs 11 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 5,330,473 51,687 103.13 0 hrs 14 mins
9 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 4,647,453 51,687 89.92 0 hrs 16 mins
10 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 4,056,952 51,687 78.49 0 hrs 18 mins
11 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,701,264 51,687 71.61 0 hrs 20 mins
12 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 3,524,351 51,687 68.19 0 hrs 21 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,214,400 51,687 62.19 0 hrs 23 mins
14 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 2,941,309 51,687 56.91 0 hrs 25 mins
15 GeForce RTX 4060
AD107 [GeForce RTX 4060]
Nvidia AD107 2,932,482 51,687 56.74 0 hrs 25 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,435,578 51,687 47.12 0 hrs 31 mins
17 Radeon RX 6700(XT)/6800M
Navi 22 XT-XL [Radeon RX 6700(XT)/6800M]
AMD Navi 22 XT-XL 2,365,329 51,687 45.76 0 hrs 31 mins
18 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,360,058 51,687 45.66 0 hrs 32 mins
19 Radeon RX 9060(XT)
Navi 44 [Radeon RX 9060(XT)]
AMD Navi 44 2,151,724 51,687 41.63 0 hrs 35 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,118,318 161,991 13.08 1 hrs 50 mins
21 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,908,823 196,253 9.73 2 hrs 28 mins
22 Arc Pro B50
Battlemage G21 [Arc Pro B50]
Unknown Battlemage G21 1,779,879 51,687 34.44 0 hrs 42 mins
23 RTX A2000 12GB
GA106 [RTX A2000 12GB]
Nvidia GA106 1,620,714 51,687 31.36 0 hrs 46 mins
24 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,460,828 54,285 26.91 0 hrs 54 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,387,196 176,623 7.85 3 hrs 3 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,300,996 51,687 25.17 0 hrs 57 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,195,546 148,620 8.04 2 hrs 59 mins
28 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 948,349 51,687 18.35 1 hrs 18 mins
29 RTX A2000
GA106 [RTX A2000]
Nvidia GA106 899,844 51,687 17.41 1 hrs 23 mins
30 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 534,739 51,687 10.35 2 hrs 19 mins
31 Radeon PRO W6400
Navi 24 [Radeon PRO W6400]
AMD Navi 24 413,607 51,687 8.00 2 hrs 60 mins
32 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 386,791 115,318 3.35 7 hrs 9 mins
33 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 383,373 51,687 7.42 3 hrs 14 mins
34 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 382,984 51,687 7.41 3 hrs 14 mins
35 Radeon RX 6400/6500XT
Navi 24 [Radeon RX 6400/6500XT]
AMD Navi 24 313,821 107,157 2.93 8 hrs 12 mins
36 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 229,350 51,687 4.44 5 hrs 25 mins
37 Quadro T400 Mobile
TU117GLM [Quadro T400 Mobile]
Nvidia TU117GLM 189,612 51,687 3.67 6 hrs 33 mins
38 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 147,242 51,687 2.85 8 hrs 25 mins
39 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 85,605 63,234 1.35 17 hrs 44 mins