ELI5: Explain Like I'm 5

De novo protein structure prediction

De novo protein structure prediction is like building a puzzle. You know what the final picture should look like, but you don't have the instructions. You have to figure out how to put all the little pieces together to create the correct picture.

In de novo protein structure prediction, scientists start with a sequence of amino acids (the individual building blocks of proteins). They then use computer algorithms and simulations to predict how those amino acids will interact and fold together to form a three-dimensional structure.

The process is very complex and can take a lot of time and computing power. Scientists use mathematical models to try out different folding patterns and evaluate them based on how stable they are and how well they fit with experimental data (like X-ray crystallography).

Once a predicted structure is generated, scientists can compare it to existing structures to see if it matches anything already known. If it does not match, they can experimentally verify the predicted structure to ensure its accuracy.

De novo protein structure prediction is important because it can help scientists understand how proteins function and improve drug development.