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 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.

Nucleic acids

Nucleic acids are very complex macromolecules and their structural determination is quite challenging. Interestingly, RNA has been observed to perform a wide diversity of non-coding cell functions. We aim to develop methods for nucleic acids structure validation, determination and refinement based on theoretical calculations and available experimental data.


Biological membranes are selective barriers that separate environments with different biological and chemical composition, like the interior of the cell and the surrounding medium. We are interested on studying lipidic membranes using Molecular Dynamics Simulations. We are focused on the interaction of the membrane with small molecules like analgesics, anesthetics and peptides


Our research work is supported by grants:

PIP-0087 CONICET and PICT-0556 FONCyT: Determination, Validation and Refinement of Glycans and Glycoprotein structures
PICT-0767 FONCyT: Validation and Determination of nucleic acid structures from NMR 13C chemical shifts
PICT-2018-02212: Bayesian Modeling of the Structure and Flexibility of Biomolecules in Solution


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