title: Chemoinformatics in metabolomics, from molecular mechanics, dynamics, and docking to complex metabolic networks, part 2.
authors.forename: Humberto
authors.initials: H
authors.lastname: Gonzalez-Diaz
authors.forename: Alejandro
authors.initials: A
authors.lastname: Speck-Planche
authors.affiliation: Department of Organic Chemistry II, University of the Basque Country UPV/EHU, 48940, Leioa, Spain. humberto.gonzalezdiaz@ehu.es.
authors.forename: Maria Natalia Dias Soeiro
authors.initials: MN
authors.lastname: Cordeiro
mesh_terms: D006801:Humans; D053858:Metabolic Networks and Pathways; D055432:Metabolomics; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation