| DOI | Trouver le DOI : https://doi.org/10.2174/1381612811319120006 |
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| Auteur | Rechercher : Paquet, Eric1; Rechercher : Viktor, Herna L.1 |
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| Affiliation | - Conseil national de recherches du Canada. Technologies de l'information et des communications
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| Format | Texte, Article |
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| Sujet | Macromolecular structures, docking, protein-protein interaction, alignment, algorithms, drug designers, comparison, Bayesian framework, kernel-based methods, projection-based techniques |
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| Résumé | The comparison of macromolecular structures, in terms of functionalities, is a crucial step when aiming to identify potential docking sites. Drug designers require the identification of such docking sites for the binding of two proteins, in order to form a stable complex. This paper presents a review of current approaches to macromolecular structure comparison and docking, following an algorithmic approach. We describe techniques based on the Bayesian framework, kernel-based methods, projection-based techniques and spectral approaches. We introduce the use of quantum particle swarm optimization, in order to aid us to find the most appropriate docking sites. We discuss the importance of the heat and Schrödinger equations to address the non-rigid nature of proteins and highlight the strengths and limitations of the various methods. |
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| Date de publication | 2013 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21270407 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 2581777b-164c-4529-a40d-ccf6df4af3c1 |
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| Enregistrement créé | 2014-02-07 |
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| Enregistrement modifié | 2020-04-22 |
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