title: Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.
abstract: How does glycine adsorb at hydroxyapatite surfaces? Ab initio simulations based on periodic B3LYP GTO calculations reveal the detailed mechanism of binding to the (001) and (010) surfaces by shedding light on how acid and basic amino acid residues of proteins interact with hydroxyapatite based biomaterials.
authors.affiliation: Dipartimento Chimica IFM, NIS Centre of Excellence and INSTM (Materials Science and Technology) National Consortium, University of Torino, Via P. Giuria 7, 10125 Torino, Italy.
authors.forename: Albert
authors.initials: A
authors.lastname: Rimola
authors.forename: Marta
authors.initials: M
authors.lastname: Corno
authors.forename: Claudio Marcelo
authors.initials: CM
authors.lastname: Zicovich-Wilson
authors.forename: Piero
authors.initials: P
authors.lastname: Ugliengo
mesh_terms: D000327:Adsorption; D001672:Biocompatible Materials / Q000737:chemistry*; D003198:Computer Simulation; D017886:Durapatite / Q000737:chemistry*; D005998:Glycine / Q000737:chemistry; D008958:Models, Molecular; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D001672:Biocompatible Materials; D011506:Proteins; D017886:Durapatite; D005998:Glycine