Benchmarking of different molecular docking methods for protein-peptide docking.

Agrawal, Piyush and Singh, Harinder and Srivastava, Hemant Kumar and Singh, Sandeep and Kishore, Gaurav and Raghava, G.P.S. (2019) Benchmarking of different molecular docking methods for protein-peptide docking. BMC bioinformatics, 19 (Suppl ). p. 426. ISSN 1471-2105

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Abstract

Molecular docking studies on protein-peptide interactions are a challenging and time-consuming task because peptides are generally more flexible than proteins and tend to adopt numerous conformations. There are several benchmarking studies on protein-protein, protein-ligand and nucleic acid-ligand docking interactions. However, a series of docking methods is not rigorously validated for protein-peptide complexes in the literature. Considering the importance and wide application of peptide docking, we describe benchmarking of 6 docking methods on 133 protein-peptide complexes having peptide length between 9 to 15 residues. The performance of docking methods was evaluated using CAPRI parameters like FNAT, I-RMSD, L-RMSD.

Item Type: Article
Additional Information: Open Access
Uncontrolled Keywords: ATTRACT; Benchmark; CAPRI; FRODOCK; Hex; PatchDock; Protein-peptide docking; ZDOCK; pepATTRACT
Subjects: Q Science > QR Microbiology
Depositing User: Dr. K.P.S.Sengar
Date Deposited: 18 Mar 2019 12:59
Last Modified: 06 Dec 2019 17:03
URI: http://crdd.osdd.net/open/id/eprint/2175

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