Molecular simulations of Hofmeister ion pairing and solvation of protein building blocks in aqueous interfacial environments

Timir Hajari
In current days, computer simulation is a scientific tool to study material properties. Using computer simulation, equilibrium and nonequilibrium properties of materials can be estimated with a detailed atomistic picture which is not easily accessible with exper- imental techniques. It is widely used to get the atomistic resolution of various chemical and biophysical processes for better understanding of these processes. Molecular level understanding of stability, conformational changes and solvation properties of proteins or peptides in...
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