RESEARCH: CANCER
FOLDING PROJECT #16996 PROFILE

This project looks at how mini-proteins called TrpCage fold using computer simulations. By comparing these simulations to real experiments, scientists hope to figure out if computers can be used to design better proteins.

This project simulates the folding dynamics of several variants of the TrpCage mini-pro designed by Niels Andersen’s group.

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

TrpCage

A mini-protein designed for studying protein folding.

TrpCage is a small protein scaffold used in research to study how proteins fold. It's particularly useful because its structure can be easily modified, allowing scientists to investigate the factors that influence protein folding.

NMR

Nuclear Magnetic Resonance

NMR is a technique used to study the structure and dynamics of molecules. By analyzing how atomic nuclei respond to magnetic fields, scientists can determine the positions and interactions of atoms within a molecule.

Simulation

A computer model of a system or process.

Simulations are used to recreate complex biological processes in a computer environment. This allows researchers to study how systems behave under different conditions and to test hypotheses.