Research section Research projects and references

Research: GRASPETIDE-RING-FORMATION Folding Project #15345

Project #15345 overview

Project Summary AI Beta

Graspetides are special proteins with rings that make them strong and useful for fighting germs. This project uses computer simulations to figure out how these proteins fold into their unique shapes and why they form rings in a specific order.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Miko Miwa
Institution
UIUC

Work unit

Atoms
85,698
Core
0x28
Status
Beta

No related projects listed.

Source material

Official Project Description

Graspetides are a class of ribosomally synthesized and post-translationally modified peptides (RiPPs) characterized by the ATP-grasp ligase–catalyzed macrolactam or macrolactone linkages in their structure.

These macrocycles impart structural stability and diverse bioactivities, including antimicrobial, antiviral, and enzyme inhibitory effects.

Graspetides are classified into distinct groups based on sequence motifs, cyclization patterns, and biosynthetic machinery.

While each group exhibits characteristic ring topologies, the molecular basis by which core peptide sequence and folding pathways dictate the order of ring formation remains poorly understood.In this study, we will investigate the interactions between graspetide precursor peptides and their respective ATP-grasp ligases using atomic-level molecular dynamics (MD) simulations.

By comparing the folding trajectories of these systems under differing conditions, we aim to identify and assess patterns in ring closure preference.

Performance data

Hardware Performance for Project 15345

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

Data as of Wednesday, 04 November 2026 00:29:29

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 Instinct MI325X
Aqua Vanjaram [Instinct MI325X]
Unknown Aqua Vanjaram 22,032,850 19,343 1139.06 0 hrs 1 mins
2 Radeon RX 7900XT/XTX/GRE
Navi 31 [Radeon RX 7900XT/XTX/GRE]
AMD Navi 31 14,992,368 19,343 775.08 0 hrs 2 mins
3 Radeon RX 9070(XT)
Navi 48 [Radeon RX 9070(XT)]
AMD Navi 48 7,515,436 19,343 388.54 0 hrs 4 mins