Offers a global peptide-protein docking protocol. PIPER-FlexPepDock brings into reach the study and targeted manipulation of a range of additional peptide-mediated interactions not accessible before due to limitations in sampling and/or accuracy. It can be used in high-resolution modeling of peptide- protein interactions. This tool combines fast and exhaustive rigid-body docking of a representative peptide conformer ensemble extracted from solved structures.
Department of Microbiology and Molecular Genetics, Institute for Medical Research Israel-Canada, Hadassah Medical School, The Hebrew University, Jerusalem, Israel; School of Computer Sciences and Engineering, The Hebrew University, Jerusalem, Israel; Department of Biomedical Engineering, Boston University, MA, USA; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY, USA; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, NY, USA; Institute for Advanced Computational Sciences, Stony Brook University, Stony Brook, NY, USA