Molecular Dynamics Simulations of Protein Unfolding/Folding

Major developments in the last decade have made it possible to study entire folding pathways at the level of individual residues and atoms. This is largely the result of developments in two areas that bring together complementary experimental and theoretical approaches. The first is the use of recombinant DNA methods to produce small proteins with desirable characteristics for the study of folding. This technology also allows the production of mutants to probe the folding process and examine the contributions of individual residues to the kinetics and thermodynamics of folding. The second is the development of molecular dynamics methods and the parallel advances in computing that make it possible to simulate protein denaturation at atomic resolution. These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.