Interaction of biomolecular systems with titanium-based materials: computational investigations
2009 (English)In: Theoretical Chemistry accounts, ISSN 1432-881X, E-ISSN 1432-2234, Vol. 123, no 3-4, 299-309 p.Article in journal (Refereed) Published
Ab initio calculations and molecular dynamics simulations were performed to investigate the adsorption mode of various oligopeptides on titanium dioxide surfaces and to characterize their conformational behavior upon adsorption. The models were progressively improved obtaining a description compatible with the experimental observations.
Place, publisher, year, edition, pages
2009. Vol. 123, no 3-4, 299-309 p.
Peptides; Titanium dioxide; Adsorption
IdentifiersURN: urn:nbn:se:kth:diva-10326DOI: 10.1007/s00214-009-0513-4ISI: 000266928400014ScopusID: 2-s2.0-67449127109OAI: oai:DiVA.org:kth-10326DiVA: diva2:214762
QC 201008192009-05-062009-05-062010-12-07Bibliographically approved