Folding project #16976, CANCER research

Research section Research projects and references

Project #16976 overview

Project Summary AI Beta

This project uses computer simulations to study how small proteins called peptides fold. They are especially interested in comparing the simulation results to real-life experiments to see if computers can be used to design new, useful peptides.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Prof. Vincent Voelz
Institution: Temple University

Work unit

Atoms: 19,928
Core: GRO_A8
Status: Public

No related projects listed.

Source material

Official Project Description

This project simulates the folding dynamics of several cyclic and non-cyclic peptides with designed halogen bond donors and acceptors.

We are particularly interested in comparing simulation results to experimental data across many different sequences, to assess the viability of simulation-based computational protein design.

This is a collabation with Mate Erdelyis group at Uppsala University.

Reading reference

Related Terms Glossary AI Beta

Automated high-level definitions; simplified and may not be fully accurate.

peptides

Short chains of amino acids.

scientific: BiopharmaceuticalBiotechnology / Protein Science

Peptides are short chains of amino acids linked together. They play various roles in biological systems, such as acting as hormones, enzymes, and structural components.

halogen bond

A type of non-covalent interaction between atoms containing halogen (e.g., fluorine, chlorine) and electron-rich sites.

scientific: BiopharmaceuticalBiotechnology / Structural Biology

Halogen bonds are a type of weak attraction between molecules that involve a halogen atom (like fluorine or chlorine) and an electron-rich region in another molecule. They play important roles in protein structure and interactions.

simulation

The process of creating a model to imitate a real-world system.

scientific: Software/ResearchBiotechnology / Computational Biology

Simulations are computer models that represent real-world processes. They can be used to study complex systems like protein folding or drug interactions.

protein design

The process of engineering proteins with desired properties.

scientific: BiopharmaceuticalBiotechnology / Structural Biology, Drug Discovery

Protein design involves using computational methods and laboratory techniques to create new proteins with specific functions, such as enzymes for industrial processes or antibodies for therapeutic use.

CPU PPD Averages Beta

Rank Project	CPU Model	Logical Processors (LP)	PPD-PLP AVG PPD per 1 LP	ALL LP-PPD (Estimated)	Make
1	CORE I3-9100F CPU @ 3.60GHZ	4	25,124	100,496	Intel

Research: CANCER Folding Project #16976

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16976

CPU PPD Averages Beta

Research: CANCER Folding Project #16976

Project Summary AI Beta

Project team

Work unit

Related projects

CPU PPD Averages Beta