Computational structural biology laboratory aims focused research in molecular mechanisms of human disease.

Computational structural biology laboratory


Computational structural biology laboratory aims  focused research in molecular mechanisms of human disease.  The team has accumulated know-how and experience in several areas of intervention with main interests in the study of structure, dynamics and stability of proteins, both characterizations of protein-ligand and protein-protein interactions, aiming to understand the molecular basis of human diseases (and animal) and to propose therapeutic strategies. In this way we use a multidisciplinary approach involving experimental and computational techniques. We are specialized in nuclear magnetic resonance (NMR), circular dichroism (CD), fluorescence, molecular modeling, homology modeling, molecular dynamics and virtual high throughput screening (vHTS). Located in the University of Coimbra, this lab offers services such as NMR spectroscopy and Circular dichroism (CD) spectroscopy: CD spectrum; analysis of qualitative and semi-quantitative secondary structure of proteins. This platform is a member of Partnership for Advanced Computing in Europe (PRACE) and of INSTRUCT : An Integrated Structural Biology Infrastructure for Europe. 

Computational structural biology laboratory offers access to techniques like structural analysis of proteins and peptides that allow analyse the secondary structure content of peptides and proteins by circular dichroism (CD) and the determinatation of the secondary and tertiary structure of peptides and small proteins by NMR. It is also offers bioinformatics services namely in virtual high throughput screening (vHTS) and database construction.

Equipped with cutting edge equipments, the latest upgrade of this platform was a nuclear magnetic resonance (NMR) spectrometer for structural characterization of small molecules and protein-ligand interactions.

Brief description: Computational structural biology laboratory aims focused research in molecular mechanisms of human disease.

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