title: Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?
abstract: The DFT-D method is shown to yield interaction energies between biologically important groups to an accuracy comparable to that obtained using state-of-the-art ab initio methods.
authors.affiliation: School of Chemistry, University of Manchester, Manchester, UK.
authors.forename: Claudio
authors.initials: C
authors.lastname: Morgado
authors.forename: Mark A
authors.initials: MA
authors.lastname: Vincent
authors.forename: Ian H
authors.initials: IH
authors.lastname: Hillier
authors.forename: Xiao
authors.initials: X
authors.lastname: Shan
mesh_terms: D000465:Algorithms; D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D046911:Macromolecular Substances / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D001704:Biopolymers; D046911:Macromolecular Substances