MATLAB source code used for Rigid Body Transformation processing and Q108R-atREA dataset(Lys-40, Gln-65, and Arg-108)

This dataset includes molecular dynamics (MD) simulation results of the Q108R-atREA complex, generated using the GROMACS package. It also provides MATLAB source code for Rigid Body Transformation (RBT) processing, enabling trajectory alignment and motion analysis. The dataset and code were used in our study to assess molecular motion consistency by incorporating both positional and orientational relationships. Contents: GROMACS simulation data for the Q108R-atREA complex (center of mass and dipole moment of Lys-40, Gln-65, and Arg-108) MATLAB scripts for Rigid Body Transformation processing, including example usage for trajectory alignment