The RMSDmatrix has been used as a metric for assessing conformational diversity in studies examining how drug-like molecules change shape upon binding to proteins . This matrix was expressed as the percentage of ensemble structures at various RMSD thresholds. The current study adopts a similar approach by calculating the RMSD within the generated ensembles as measure of structural diversity, but introduces two key modifications: first, the average of the RMSDmatrix values (Figure , Table ) is used rather than the percentage distribution, and second, statistical analysis was employed to compare means across different conformer generation algorithms (Figure ). The distribution of the RMSD values in the matrix is shown in Figure .