First Principles Study of Intein Reaction Mechanisms

TL;DR

This doctoral thesis presents computational research that investigates the reaction mechanisms of inteins, providing insights into their catalytic processes through first principles calculations.

Contribution

It offers a novel computational approach to understanding intein mechanisms at the atomic level, which was previously unexplored.

Findings

Detailed reaction pathways identified

Key catalytic residues characterized

Potential for engineering improved inteins

Abstract

This doctoral thesis describes computational research into intein reaction mechanisms.