Predikce vlivu mutace na rozpustnost proteinů

The goal of the thesis is to create a predictor of the effect of a mutation on protein solubility given its initial 3D structure. Protein solubility prediction is a bioinformatics problem which is still considered unsolved. Especially a prediction using a 3D structure has not gained much attention yet.A relevant knowledge about proteins, protein solubility and existing predictors is included in the text. The principle of the designed predictor is inspired by the Surface Patches article and therefore it also aims to validate the results achieved by its authors. The designed tool uses changes of positive regions of the electric potential above the protein's surface to make a prediction.The tool has been successfully implemented and series of computationally expensive experiments have been performed. It was shown that the electric potential, hence the predictor itself too, can be successfully used just for a limited set of proteins. On top of that, the method used in the article correlates with a much simpler variable - the protein's net charge.

protein solubility, change of solubility, prediction, solubility, Surface Patches, surface potential, OptSolMut, Whitehead, dataset, PDB, prediction by structure, mutation, Modeller, FoldX, electrostatic potential, aggregation, positive region