An automated protocol for modelling peptide substrates to proteases.
Rodrigo OchoaMikhail MagnitovRoman A LaskowskiPilar CossioJanet M ThorntonPublished in: BMC bioinformatics (2020)
Overall, our approach provides a repository of protease structures with annotated data, and an open source computational protocol to reproduce the modelling and dynamic analysis of the protease-peptide complexes.