Computational chemistry, biological chemistry, physical chemistry, protein science
: DTU - Chemistry
Purpose. To understand how natural proteins evolve.
Background. Protein evolution by changing mutations is the basis of all life, but we do not understand in detail the forces that shape proteins to their present form.
Today’s computers can provide very accurate atomic-level information that can be used to pinpoint how real proteins evolve.
Methods. Computational chemistry and biology, phylogenetic trees, protein homology models, protein stability calculations.
Perspectives. Far-reaching consequences within the area of molecular evolution, because nature’s choice has affected almost all of biochemistry. Ultimately, the knowledge gained from computer simulations will be used to develop new tailored proteins, cleaner and more effective catalysts for use in industry (green chemistry).