| DOI | Resolve DOI: https://doi.org/10.2174/1381612811319120006 |
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| Author | Search for: Paquet, Eric1; Search for: Viktor, Herna L.1 |
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| Affiliation | - National Research Council of Canada. Information and Communication Technologies
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| Format | Text, Article |
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| Subject | Macromolecular structures, docking, protein-protein interaction, alignment, algorithms, drug designers, comparison, Bayesian framework, kernel-based methods, projection-based techniques |
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| Abstract | 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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| Publication date | 2013 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21270407 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 2581777b-164c-4529-a40d-ccf6df4af3c1 |
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| Record created | 2014-02-07 |
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| Record modified | 2020-04-22 |
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