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Computational methods in chemical biology and bioorganic chemistryMy research aims to explore the links between protein sequence, structure, conformational dynamics and molecular recognition to identify the atomistic determinants of defined biological (mis)functions. These objectives are pursued through a combination of existing and newly developed computational and theoretical techniques. Insights gained from these studies are used to define new principles for rational protein-design, drug-design and binding epitope prediction. |
Obiettivi
Specifically, the main goals of my research are:
- to integrate molecular dynamics, computational physical-chemistry and bioinformatics approaches to study the dynamics and specificity of protein-ligand recognition and binding;
- to translate this information into the rational design of new molecules taking the full flexibility of the receptor and the ligand into account;
- to develop computational methods to understand the determinants of protein-antibody and protein-protein interactions with the aim to design novel immunoreactive molecules.
Campi di ricerca
Chimica Organica, Chimica Computazionale, Chimica Bioorganica/Biologica
Metodologia
Molecular Dynamics, Computational chemistry, Drug/Molecular Design
Sezioni coinvolte
Chimica organica
Gruppo di lavoro
Giorgio Colombo
Collaborazioni
- Prof. David A. Agard, Dept of Biochemistry and Biophysics, UCSF, San Francisco, USA
- Prof. Xavier Daura, Universitat Autonoma de Barcelona, Barcelona, Spain
- Prof. Mehdi Mollapour, Department of Medicine, State University of New York
- Prof. Anna Bernardi, Dipartimento di Chimica, Università di Milano
- Dr. Nadia Zaffaroni, Istituto Nazionale dei Tumori, Milano