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Welcome to SuPepMem Database


SuPepMem is an open-access repository containing Molecular Dynamics simulations of different natural and artificial peptides (antimicrobial, anticancer, antiviral, etc) interacting with membrane models for healthy mammal, bacteria, viruses, cancer or senescent cells.

Citation: F. Suarez-Leston, M. Calvelo, G. F Tolufashe, A. Muñoz, U. Veleiro, C. Porto, M. Bastos, Á. Piñeiro, R. Garcia-Fandino, SuPepMem: A database of innate immune system peptides and their cell membrane interactions, Comput. Struct. Biotechnol. J. 2022, 20, 874-881

Type the name of a lipid, peptide ID or a segment of sequence to find trajectories containing them. Example: POPC or DPPC for lipids; DRAMP00008 for peptides. For more elaborated selections, use Advanced Search.

Total Trajectories

636

Total Membrane Types

6

Molecular Dynamics simulations to understand cancer, infection and aging at the membrane level


SuPepMem 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.

SuPepMem is a living project. It is expected to grow with simulations of more peptides in different membrane models and using different atomistic and coarse grained force fields.

Data in SuPepMem 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 SuPepMem Database for research, please cite our publications.

SuPepMem 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 SuPepMem 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.