Bertolazzi, P. and Guerra, C. and Lampariello, F. and Liuzzi, G. (2012) Continuous global optimization for protein structure analysis. Il nuovo cimento C, 35 (Sup. 1). pp. 65-70. ISSN 1826-9885
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Abstract
Optimization methods are a powerful tool in protein structure analysis. In this paper we show that they can be profitably used to solve relevant problems in drug design such as the comparison and recognition of protein binding sites and the protein-peptide docking. Binding sites recognition is generally based on geometry often combined with physico-chemical properties of the site whereas the search for correct protein-peptide docking is often based on the minimization of an interaction energy model. We show that continuous global optimization methods can be used to solve the above problems and show some computational results.
| Item Type: | Article |
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| Uncontrolled Keywords: | Computational techniques; simulations ; Numerical optimization ; Tertiary structure |
| Subjects: | 500 Scienze naturali e Matematica > 530 Fisica |
| Depositing User: | Marina Spanti |
| Date Deposited: | 27 Apr 2020 14:53 |
| Last Modified: | 27 Apr 2020 14:53 |
| URI: | http://eprints.bice.rm.cnr.it/id/eprint/18034 |
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