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Pasqualina D’Ursi Tutorial

Tutorial B
Structural Bionformatics in Drug Discovery (sponsored by InterOmics)
Tuesday October 13, 2015, 10:00 – 13:00

The tutorial focuses on applications of fast and inexpensive docking protocols combined with accurate, but more expensive, molecular dynamics techniques to predict more reliable protein-ligand complexes. Molecular dynamics can be used during the preparation of the protein before docking and for the refinement of docked complex considering the protein flexibility.

This tutorial will present a case study, development of new procedures for the identification of CFTR (Cystic fibrosis transmembrane conductance regulator) drugs: a multidisciplinary approach using real time surface plasmon resonance interaction assays supported by bioinformatics strategies on HPC infrastructure.

Pasqualina D’Ursi,
Institute of Biomedical Technologies (ITB), National Research Council, Milano, Italy
Pasqualina D’Ursi is a Senior Researcher at the Institute of Biomedical Technologies (ITB) of the Italian National Research Council. She received a BS Degree in Biological Science and a PhD in Molecular Medicine at University of Milan and Specialization in Pharmacological Research at “Mario Negri” Institute, Milan, Italy.

Her research interests involve modelling, drug design and computational study of the impact of environmental pollutants on human health. She is involved in the following projects: molecular mechanisms of HIV-1 matrix protein p17 variants in promoting tumorigenesis and neurodegeneration, development and application of modeling techniques in the fields of protein-ligand interactions for the rational drug design of Cystic Fibrosis therapy, phosphodiesterase (PDE) and viral protein.

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