CYCLOPEpDB is an open-source repository containing Molecular Dynamics simulations of D,L-α-cyclic peptides interacting with bacterial membrane models
Citation:
Type the name of a lipid, cyclic peptide ID or a segment of sequence to find trajectories containing them. Example: POPC or DPPC for lipids; DRAMP00008 for cyclic peptides. For more elaborated selections, use Advanced Search.
CYCLOPEp provides both the input files necessary to run the simulation (topology, MD input parameters, etc) and also some selected analysis, including molecular dynamics based descriptors.
CYCLOPEp is a living project. It is expected to grow with simulations of more cyclic peptides in different membrane models.
Data in CYCLOPEp is made available under an CCBY 4.0 License. You are entitled to access and use the services and download or extract data. If you need the data from the CYCLOPEp Database for research, please cite our publications.
CYCLOPEp has been developed by the Computational Biophysical Chemistry group at CiQUS and the Soft Matter & Molecular Biophysics group at the Faculty of Physics (Universidade de Santiago de Compostela, Spain). The database is open to MD simulations of other users (after quality check by a CYCLOPEp member). Please contact us at Rebeca.Garcia.Fandino@usc.es or Angel.Pineiro@usc.es if you are interested in depositing your trajectories or if you have any problem or suggestion.