GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps - Otero-Mato, J. Manuel; Montes-Campos, Hadrián; Calvelo, Martín; García-Fandiño, Rebeca; Gallego, Luis J; Piñeiro, Ángel; Varela, Luis M (Journal of chemical theory and computation, 2018)
Keywords: Acceptance criteria; Computer simulation; Configurations; Cyclodextrins; Deformation; Deoxyribonucleic acid; DNA; Equivalence; Ionic liquids; Maximum likelihood method; Molecular chains; Molecular dynamics; Organic chemistry; Peptides; Proteins; Representations; Sampling; Translations