Research section Research projects and references

Research: ENZYME-DYNAMICS Folding Project #15417

Project #15417 overview

Project Summary AI Beta

This project looks at how enzymes change shape to bind with other molecules. By studying these movements using computer simulations, we hope to learn more about how drugs work and how to design better ones.
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 15417

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

Data as of Sunday, 02 August 2026 22:03:21

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 23,600,193 51,076 462.06 0 hrs 3 mins
2 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 18,692,990 51,076 365.98 0 hrs 4 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 7,865,334 51,076 153.99 0 hrs 9 mins
4 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 7,759,022 284,577 27.27 0 hrs 53 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,898,339 51,076 135.06 0 hrs 11 mins
6 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 5,541,958 51,076 108.50 0 hrs 13 mins
7 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 5,057,655 51,076 99.02 0 hrs 15 mins
8 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 4,962,610 51,076 97.16 0 hrs 15 mins
9 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 4,776,417 51,076 93.52 0 hrs 15 mins
10 Radeon RX 6800(XT)/6900XT
Navi 21 [Radeon RX 6800(XT)/6900XT]
AMD Navi 21 3,657,358 60,487 60.47 0 hrs 24 mins
11 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,537,492 51,076 69.26 0 hrs 21 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,342,377 51,076 65.44 0 hrs 22 mins
13 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 2,848,242 51,076 55.76 0 hrs 26 mins
14 Radeon RX 6700(XT)/6800M
Navi 22 XT-XL [Radeon RX 6700(XT)/6800M]
AMD Navi 22 XT-XL 2,390,320 51,076 46.80 0 hrs 31 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,372,491 51,076 46.45 0 hrs 31 mins
16 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,145,651 199,840 10.74 2 hrs 14 mins
17 Radeon RX 9060(XT)
Navi 44 [Radeon RX 9060(XT)]
AMD Navi 44 2,108,344 51,076 41.28 0 hrs 35 mins
18 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,976,243 196,776 10.04 2 hrs 23 mins
19 Arc Pro B50
Battlemage G21 [Arc Pro B50]
Unknown Battlemage G21 1,682,135 51,076 32.93 0 hrs 44 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,343,184 174,624 7.69 3 hrs 7 mins
21 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,259,974 170,113 7.41 3 hrs 14 mins
22 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,103,574 51,076 21.61 1 hrs 7 mins
23 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 825,358 104,539 7.90 3 hrs 2 mins
24 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 380,592 51,076 7.45 3 hrs 13 mins
25 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 371,251 51,076 7.27 3 hrs 18 mins
26 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 359,628 51,076 7.04 3 hrs 25 mins
27 Radeon PRO W6400
Navi 24 [Radeon PRO W6400]
AMD Navi 24 352,997 51,076 6.91 3 hrs 28 mins
28 Radeon RX 6400 / 6500 XT
Navi 24 [Radeon RX 6400 / 6500 XT]
AMD Navi 24 326,414 51,076 6.39 3 hrs 45 mins
29 Radeon RX 6400/6500XT
Navi 24 [Radeon RX 6400/6500XT]
AMD Navi 24 301,479 104,438 2.89 8 hrs 19 mins
30 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 224,546 51,076 4.40 5 hrs 28 mins
31 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 213,466 83,056 2.57 9 hrs 20 mins
32 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 200,688 63,895 3.14 7 hrs 38 mins
33 Quadro T400 Mobile
TU117GLM [Quadro T400 Mobile]
Nvidia TU117GLM 182,593 51,076 3.57 6 hrs 43 mins
34 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 96,500 72,201 1.34 17 hrs 57 mins