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

ABSTRACT:

Background

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.

Result

Firstly, we performed blind docking an

SUBMITTER: Agrawal P 

PROVIDER: S-EPMC7394329 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature