The present work reports the improvement to the CREST iMTD algorithm that permitted finding the lowest-energy structures in these complexes of flexible molecules. The algorithm is then tested on an array of additional non-covalent complexes composed of one or more of asphaltene model compounds, peptides, and water. Additionally, the model is tested on three highly flexible single molecules with detailed intra-molecular non-covalent interactions, two of which are octapeptides, and one of which is arbitrary, but bears some resemblance to an acidic asphaltene molecule. This testing allows us to describe those cases where the new algorithm is superior, and those where the results are only comparable or inferior to those obtained using CREST. Superiority is gauged in terms of three criteria: 1) the lowest-energy conformer found, 2) the number of conformers generated within a 6 kcal/mol (25 kJ/mol) energy window (this is the standard size of energy window in CREST), and 3) computational efficiency, as measured by core-hours required to generate an ensemble. Carbon is grey, hydrogen is white, nitrogen is blue, oxygen is red, and nickel is pink.