A global optimization algorithm for protein surface alignment |
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Authors: | Paola Bertolazzi Concettina Guerra Giampaolo Liuzzi |
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Affiliation: | 1.Istituto di Analisi dei Sistemi ed Informatica "A. Ruberti",Consiglio Nazionale delle Ricerche,Rome,Italy;2.Dipartimento di Ingegneria Informatica,Universitá di Padova,Padova,Italy;3.College of Computing,Georgia Institute of Technology,Atlanta,USA |
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Abstract: | Background A relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined with physico-chemical properties of the site since the conformation, size and chemical composition of the protein surface are all relevant for the interaction with a specific ligand. Several matching strategies have been designed for the recognition of protein-ligand binding sites and of protein-protein interfaces but the problem cannot be considered solved. |
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