Proteins

Chemical shifts are easy to obtain and they provide detailed information about the 3D structure of proteins. Nevertheless, there is not a unique way to relate the chemical shift values to features of the protein's 3D structure. We are interested in developing methods that make use of the chemical shift's information for validation, determination and refinement protein structures.

Glycans

Glycans are involved in key molecular processes. The 3D structure determination of glycans and glycoproteins is very useful for understanding their biological functions. Available structural experimental data of glycans is currently very sparse. The development of new tools for validation, determination, refinement and visualization of glycans is one of our main goals.