Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration

Abstract

Proteins are biological macromolecules formed by sequentially joining natural amino acids through peptide bonds. The sequence of amino acids in a protein chain determines its three dimensional structure under physiological conditions. Proteins performdiverse functions such as transporting molecules, transmitting signals between cells, catalyzing metabolic reactions etc. In this thesis I have studied problems related to protein folding, function and aggregation using molecular dynamics simulations and protein models at atomistic and coarse-grained resolution