RESEARCH: POLYMERASE
FOLDING PROJECT #16751 PROFILE

PROJECT TEAM

Manager(s): Prof. Xuhui Huang
Institution: Hong Kong University of Science and Technology

WORK UNIT INFO

Atoms: 330,061
Core: OPENMM_22
Status: Beta

Related Projects

TLDR; PROJECT SUMMARY AI BETA

This project uses powerful computer programs (GPUs) to study how bacteria work. Researchers will simulate how a key part of bacteria, called RNA polymerase, folds and interacts with antibiotics. They'll also look at how helper proteins called chaperones help other proteins fold correctly.

Note: This TLDR is a simplication and may not be 100% accurate.

OFFICAL PROJECT DESCRIPTION

This series of GPU projects to simulation the Bacterial RNA Polymerase.

16700,16701: Simulation of E.

coli RNA Polymerase Trigger Loop folding, the target for antibiotics (CBR compounds). 16750-16755: Simulation of folding of client proteins with a chaperone Hsp70.

RELATED TERMS GLOSSARY AI BETA

Note: Glossary items are a high level summary and may not be 100% accurate.

GPU

Graphics Processing Unit

Technical: Medicine & Biotechnology
Biotechnology / Computational Biology

A specialized electronic circuit designed to rapidly manipulate and alter memory to accelerate the creation of images in a frame buffer intended for output to a display. GPUs are increasingly used in scientific computing, particularly in fields like bioinformatics and molecular modeling.


Bacterial RNA Polymerase

An enzyme responsible for transcribing DNA into RNA in bacteria.

Scientific: Medicine & Biotechnology
Molecular Biology / Genetics

Bacterial RNA Polymerase is a vital enzyme that plays a crucial role in gene expression. It binds to specific DNA sequences called promoters and synthesizes RNA molecules from a DNA template. This process is essential for the production of proteins, which carry out various functions within the bacterial cell.


Antibiotics

Drugs that inhibit the growth of or kill bacteria.

Scientific: Medicine & Biotechnology
Pharmacology / Infectious Diseases

Antibiotics are a class of medications used to treat bacterial infections. They work by interfering with various cellular processes essential for bacterial survival, such as cell wall synthesis, protein production, or DNA replication. The overuse and misuse of antibiotics can lead to antibiotic resistance, making infections more difficult to treat.


CBR Compounds

Chemically Bioactive Receptor.

Scientific: Medicine & Biotechnology
Pharmacology / Drug Discovery

CBR compounds are a class of molecules that interact with specific receptors in the body, often modulating their activity. These compounds are used in drug discovery and development as potential therapeutic agents.


Hsp70

Heat Shock Protein 70

Scientific: Medicine & Biotechnology
Molecular Biology / Protein Folding

Hsp70 is a family of proteins that play a crucial role in assisting other proteins to fold correctly and preventing their aggregation. They are particularly important under stress conditions, such as heat shock, where they help protect cells from damage.


Chaperone

A protein that assists other proteins in folding correctly.

Scientific: Medicine & Biotechnology
Molecular Biology / Protein Folding

Chaperones are essential for maintaining proper cellular function by ensuring that newly synthesized proteins fold into their correct three-dimensional structures. They act as guides and protectors, preventing misfolding and aggregation of proteins.


Client Protein

A protein that interacts with a chaperone for assistance in folding.

Scientific: Medicine & Biotechnology
Molecular Biology / Protein Interactions

Client proteins are the target molecules that require assistance from chaperones for proper folding. They may be newly synthesized or under stress conditions, requiring guidance to achieve their correct conformation.

PROJECT FOLDING PPD AVERAGES BY GPU

Data as of Sunday, 26 April 2026 00:43:48
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 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 9,548,164 427,999 22.31 1 hrs 5 mins
2 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,984,720 344,821 14.46 1 hrs 40 mins
3 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,177,790 220,452 5.34 4 hrs 30 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

Data as of Sunday, 26 April 2026 00:43:48
Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make