Research section Research projects and references

Research: ENZYME-DYNAMICS Folding Project #15414

Project #15414 overview

Project Summary AI Beta

This project relates to using computer simulations to study how enzymes change shape. By understanding these changes, we can learn how enzymes work and design better drugs and improve existing ones.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Adrija Dutta
Institution
UIUC

Work unit

Atoms
81,948
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 15414

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

Data as of Sunday, 13 September 2026 00:29:14

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 4060
AD107 [GeForce RTX 4060]
Nvidia AD107 43,414,605 34,714 1250.64 0 hrs 1 mins
2 GeForce RTX 5080
GB203 [GeForce RTX 5080]
Nvidia GB203 23,094,694 34,714 665.28 0 hrs 2 mins
3 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 18,132,349 34,714 522.34 0 hrs 3 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 8,267,092 34,714 238.15 0 hrs 6 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 7,493,092 34,714 215.85 0 hrs 7 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,619,080 34,714 190.67 0 hrs 8 mins
7 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 5,322,038 34,714 153.31 0 hrs 9 mins
8 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 4,931,450 34,714 142.06 0 hrs 10 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 4,651,923 34,714 134.01 0 hrs 11 mins
10 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 4,176,748 34,714 120.32 0 hrs 12 mins
11 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 3,766,734 34,714 108.51 0 hrs 13 mins
12 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 3,519,039 35,648 98.72 0 hrs 15 mins
13 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,464,843 34,714 99.81 0 hrs 14 mins
14 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,400,397 34,714 97.95 0 hrs 15 mins
15 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 2,948,904 34,714 84.95 0 hrs 17 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,712,592 34,714 78.14 0 hrs 18 mins
17 Radeon RX 6700(XT)/6800M
Navi 22 XT-XL [Radeon RX 6700(XT)/6800M]
AMD Navi 22 XT-XL 2,445,058 34,714 70.43 0 hrs 20 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,266,687 159,888 14.18 1 hrs 42 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,024,928 128,322 15.78 1 hrs 31 mins
20 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,816,441 147,987 12.27 1 hrs 57 mins
21 Arc Pro B50
Battlemage G21 [Arc Pro B50]
Unknown Battlemage G21 1,794,268 34,714 51.69 0 hrs 28 mins
22 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,523,991 139,773 10.90 2 hrs 12 mins
23 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,474,689 137,985 10.69 2 hrs 15 mins
24 RTX A2000 12GB
GA106 [RTX A2000 12GB]
Nvidia GA106 1,461,032 34,714 42.09 0 hrs 34 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,238,984 113,874 10.88 2 hrs 12 mins
26 Radeon RX 6600(XT/M)
Navi 23 XT-XL [Radeon RX 6600(XT/M)]
AMD Navi 23 XT-XL 1,123,224 34,714 32.36 0 hrs 45 mins
27 Radeon RX 6800(XT)/6900XT
Navi 21 [Radeon RX 6800(XT)/6900XT]
AMD Navi 21 1,044,448 34,714 30.09 0 hrs 48 mins
28 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 871,353 34,714 25.10 0 hrs 57 mins
29 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 574,084 102,856 5.58 4 hrs 18 mins
30 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 547,144 34,714 15.76 1 hrs 31 mins
31 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 394,468 34,714 11.36 2 hrs 7 mins
32 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 381,373 34,714 10.99 2 hrs 11 mins
33 Radeon RX 6400/6500XT
Navi 24 [Radeon RX 6400/6500XT]
AMD Navi 24 301,243 79,816 3.77 6 hrs 22 mins
34 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 252,010 76,344 3.30 7 hrs 16 mins
35 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 233,960 34,714 6.74 3 hrs 34 mins
36 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 173,184 34,714 4.99 4 hrs 49 mins
37 Quadro T400 Mobile
TU117GLM [Quadro T400 Mobile]
Nvidia TU117GLM 165,160 34,714 4.76 5 hrs 3 mins
38 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 77,068 43,191 1.78 13 hrs 27 mins