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 Saturday, 24 October 2026 00:29:34

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 GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 111,927,240 34,714 3224.27 0 hrs 0 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 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 10,658,184 34,714 307.03 0 hrs 5 mins
5 Radeon PRO W6400
Navi 24 [Radeon PRO W6400]
AMD Navi 24 9,241,850 34,714 266.23 0 hrs 5 mins
6 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 8,953,267 34,714 257.92 0 hrs 6 mins
7 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 8,649,949 34,714 249.18 0 hrs 6 mins
8 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 7,254,973 43,199 167.94 0 hrs 9 mins
9 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,619,080 34,714 190.67 0 hrs 8 mins
10 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 6,092,330 34,714 175.50 0 hrs 8 mins
11 GeForce RTX 4060
AD107 [GeForce RTX 4060]
Nvidia AD107 5,467,201 34,714 157.49 0 hrs 9 mins
12 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 4,683,875 34,714 134.93 0 hrs 11 mins
13 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 4,562,000 34,714 131.42 0 hrs 11 mins
14 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 4,479,953 35,599 125.84 0 hrs 11 mins
15 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 3,472,643 34,714 100.04 0 hrs 14 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,466,845 34,714 99.87 0 hrs 14 mins
17 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,464,843 34,714 99.81 0 hrs 14 mins
18 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 3,109,643 34,714 89.58 0 hrs 16 mins
19 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,789,888 34,714 80.37 0 hrs 18 mins
20 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,712,592 34,714 78.14 0 hrs 18 mins
21 Radeon RX 6700(XT)/6800M
Navi 22 XT-XL [Radeon RX 6700(XT)/6800M]
AMD Navi 22 XT-XL 2,477,279 34,714 71.36 0 hrs 20 mins
22 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,266,687 159,888 14.18 1 hrs 42 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,984,324 152,850 12.98 1 hrs 51 mins
24 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,856,200 149,027 12.46 1 hrs 56 mins
25 Arc Pro B50
Battlemage G21 [Arc Pro B50]
Unknown Battlemage G21 1,767,719 34,714 50.92 0 hrs 28 mins
26 Radeon 8050S/8060S
Strix Halo [Radeon 8050S/8060S]
AMD Strix Halo 1,756,445 34,714 50.60 0 hrs 28 mins
27 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,523,991 139,773 10.90 2 hrs 12 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,500,228 139,387 10.76 2 hrs 14 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,479,570 34,714 42.62 0 hrs 34 mins
30 Quadro T400 Mobile
TU117GLM [Quadro T400 Mobile]
Nvidia TU117GLM 1,468,466 34,714 42.30 0 hrs 34 mins
31 RTX A2000 12GB
GA106 [RTX A2000 12GB]
Nvidia GA106 1,457,303 34,714 41.98 0 hrs 34 mins
32 RTX A2000
GA106 [RTX A2000]
Nvidia GA106 1,376,284 34,714 39.65 0 hrs 36 mins
33 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,285,610 121,464 10.58 2 hrs 16 mins
34 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
35 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 923,812 34,714 26.61 0 hrs 54 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 777,590 111,735 6.96 3 hrs 27 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 595,262 104,516 5.70 4 hrs 13 mins
38 Radeon RX 6800(XT)/6900XT
Navi 21 [Radeon RX 6800(XT)/6900XT]
AMD Navi 21 576,884 34,714 16.62 1 hrs 27 mins
39 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 547,144 34,714 15.76 1 hrs 31 mins
40 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 389,534 34,714 11.22 2 hrs 8 mins
41 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 381,373 34,714 10.99 2 hrs 11 mins
42 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 366,842 89,281 4.11 5 hrs 50 mins
43 Radeon RX 6400/6500XT
Navi 24 [Radeon RX 6400/6500XT]
AMD Navi 24 310,121 82,016 3.78 6 hrs 21 mins
44 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 291,482 86,281 3.38 7 hrs 6 mins
45 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 252,010 76,344 3.30 7 hrs 16 mins
46 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 233,960 34,714 6.74 3 hrs 34 mins
47 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 155,544 34,714 4.48 5 hrs 21 mins
48 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 77,068 43,191 1.78 13 hrs 27 mins