K-Means Clustering Coarse-graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-grained Mappings of Large Biomolecules

TitleK-Means Clustering Coarse-graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-grained Mappings of Large Biomolecules
Publication TypeJournal Article
Year of Publication2023
AuthorsWu, J, Xue, W, Voth, GA
JournalJ. Chem. Theory Comp.
Volume19
Pagination8987–8997
DOI10.1021/acs.jctc.3c01053