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, 02 August 2026 22:03:24

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 23,094,694 34,714 665.28 0 hrs 2 mins
2 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 18,132,349 34,714 522.34 0 hrs 3 mins
3 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
4 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 6,619,080 34,714 190.67 0 hrs 8 mins
5 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 5,423,538 34,714 156.23 0 hrs 9 mins
6 Radeon RX 6950 XT
Navi 21 [Radeon RX 6950 XT]
AMD Navi 21 4,931,450 34,714 142.06 0 hrs 10 mins
7 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 4,705,185 34,714 135.54 0 hrs 11 mins
8 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 3,479,893 34,714 100.24 0 hrs 14 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,464,843 34,714 99.81 0 hrs 14 mins
10 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,379,766 34,714 97.36 0 hrs 15 mins
11 Intel Arc B580 Graphics
Battlemage G21 [Intel Arc B580 Graphics]
Intel Battlemage G21 3,123,474 34,714 89.98 0 hrs 16 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,712,592 34,714 78.14 0 hrs 18 mins
13 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
14 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,266,687 159,888 14.18 1 hrs 42 mins
15 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,043,320 131,626 15.52 1 hrs 33 mins
16 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,810,018 147,395 12.28 1 hrs 57 mins
17 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,523,991 139,773 10.90 2 hrs 12 mins
18 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,495,218 139,401 10.73 2 hrs 14 mins
19 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,376,424 135,441 10.16 2 hrs 22 mins
20 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,289,278 34,714 37.14 0 hrs 39 mins
21 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
22 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 547,144 34,714 15.76 1 hrs 31 mins
23 Quadro M5000
GM204GL [Quadro M5000]
Nvidia GM204GL 381,373 34,714 10.99 2 hrs 11 mins
24 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 252,010 76,344 3.30 7 hrs 16 mins
25 Quadro K5200
GK110 [Quadro K5200]
Nvidia GK110 233,960 34,714 6.74 3 hrs 34 mins
26 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 177,185 34,714 5.10 4 hrs 42 mins