The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

Hyoungrae Kim, Cheongyun Jang, Dharmendra K. Yadav, Mi-Hyun Kim. The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix. J. Cheminformatics, 9(1), 2017. [doi]

Abstract

Abstract is missing.