MDockPeP2

The MDockPeP2 program predicts protein-peptide complex structures starting with the protein structure and the peptide sequence. A flowchart of the protocol is shown as following.

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Download

Click here to download the MDockPeP2 program (version 2.1).

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The following are links to download top 1000 predicted moodels of MDockPeP2 on three protein-peptide datasets: PepPro, peptiDB, and LEADS-PEP.
Click here to download docking models for the PepPro dataset.
Click here to download docking models for the peptiDB dataset.
Click here to download docking models for the LEADS-PEP dataset.

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References
Xu X, Zou X. Predicting protein-peptide complex structures by accounting for peptide flexibility and physicochemical environment. Journal of Chemical Information and Modeling, 62: 27-39, 2022. [Link]