Abstract
Design of protein-protein interaction (PPI) inhibitors is a key challenge in Structural Bioinformatics and Computer Aided Drug Design [1, 2]. Peptides, which partially mimic the interface area of one of the interacting proteins, are natural candidates to form protein-peptide complexes competing with the original PPI [3, 4]. Some inhibitory peptides were designed by deriving a short linear segment from one of the proteins in a given PPI complex [5-9]. These peptides were successfully able to inhibit interactions with the partner protein. The prediction of such complexes is especially challenging due to the high flexibility of peptide conformations.
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Donsky, E., Wolfson, H.J. (2011). PepCrawler: A Fast RRT–Like Algorithm for High–Resolution Refinement and Binding–Affinity Estimation of Peptide Inhibitors. In: Przytycka, T.M., Sagot, MF. (eds) Algorithms in Bioinformatics. WABI 2011. Lecture Notes in Computer Science(), vol 6833. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-23038-7_7
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DOI: https://doi.org/10.1007/978-3-642-23038-7_7
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