Author list: Jaya Krishna Koneru, Dube Dheeraj Prakashchand, Namita Dube, Pushpita Ghosh and Jagannath Mondal
Models of two sequence-isomers (GA and non-GA) of 10-residue beta-peptide Y-(ACHC-ACHC-K)3 are provided. The models are parametertized using MARTINI coarse-grained frame-work. Uploaded topology and parameter files of both sequence-isomers are formatted for simulation using GROMACS. Also uploaded sample configuration file (in .gro format) of single copy of peptide in presence of phospholipid bilayers.
For details on sequence,model development and method, please refer the preprint https://www.biorxiv.org/content/10.1101/2021.02.12.430925v1