Proteins and Their Interacting Partners: An Introduction to Protein–Ligand Binding Site Prediction Methods
| Autor: | Danielle A Brackenridge, Liam J. McGuffin, Daniel B. Roche |
|---|---|
| Přispěvatelé: | Méthodes et Algorithmes pour la Bioinformatique (MAB), Laboratoire d'Informatique de Robotique et de Microélectronique de Montpellier (LIRMM), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), School of Biological Sciences [Reading], University of Reading (UOR) |
| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
Computer science
biological and biochemical role of enzymes In silico enzyme commission numbers Computational biology Review Bioinformatics Catalysis Inorganic Chemistry lcsh:Chemistry protein-ligand binding site prediction Prediction methods Protein Interaction Mapping Protein function prediction Computer Simulation Physical and Theoretical Chemistry Binding site CASP Molecular Biology lcsh:QH301-705.5 Spectroscopy Binding Sites sequence-based function prediction Organic Chemistry Proteins General Medicine Protein structure prediction structure-based function prediction Computer Science Applications protein–ligand binding site prediction lcsh:Biology (General) lcsh:QD1-999 gene Ontology Critical assessment [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] biochemical functional elucidation binding-site residue prediction protein function prediction Protein ligand Protein Binding |
| Zdroj: | International Journal of Molecular Sciences, Vol 16, Iss 12, Pp 29829-29842 (2015) International Journal of Molecular Sciences International Journal of Molecular Sciences, MDPI, 2015, 16 (12), pp.29829-29842. ⟨10.3390/ijms161226202⟩ |
| ISSN: | 1422-0067 1661-6596 |
| Popis: | International audience; Elucidating the biological and biochemical roles of proteins, and subsequently determining their interacting partners, can be difficult and time consuming using in vitro and/or in vivo methods, and consequently the majority of newly sequenced proteins will have unknown structures and functions. However, in silico methods for predicting protein-ligand binding sites and protein biochemical functions offer an alternative practical solution. The characterisation of protein-ligand binding sites is essential for investigating new functional roles, which can impact the major biological research spheres of health, food, and energy security. In this review we discuss the role in silico methods play in 3D modelling of protein-ligand binding sites, along with their role in predicting biochemical functionality. In addition, we describe in detail some of the key alternative in silico prediction approaches that are available, as well as discussing the Critical Assessment of Techniques for Protein Structure Prediction (CASP) and the Continuous Automated Model EvaluatiOn (CAMEO) projects, and their impact on developments in the field. Furthermore, we discuss the importance of protein function prediction methods for tackling 21st century problems. |
| Databáze: | OpenAIRE |
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