ICAR Research Data Repository for Knowledge Management
Benchmarking of different molecular docking methods for protein-peptide docking.
DIR@IMTECH: CSIR-Institute of Microbial Technology
View Archive Info| Field | Value | |
| Title |
Benchmarking of different molecular docking methods for protein-peptide docking.
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| Creator |
Agrawal, Piyush
Singh, Harinder Srivastava, Hemant Kumar Singh, Sandeep Kishore, Gaurav Raghava, G.P.S. |
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| Subject |
QR Microbiology
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| Description |
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.
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| Publisher |
Springer Nature
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| Date |
2019-02-04
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| Type |
Article
PeerReviewed |
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| Relation |
https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-018-2449-y
http://crdd.osdd.net/open/2175/ |
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| Identifier |
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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