Published June 28, 2023
| Version version 1
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Interaction of biomolecules with anatase, rutile and amorphous TiO2 surfaces: A molecular dynamics study / supplement
Authors/Creators
- 1. Department of Oral Biology and Experimental Dental Research, Faculty of Dentistry, University of Szeged
- 2. EKLH-SZTE Biomimetic Systems Research Group, Eötvös Loránd Research Network (ELKH), University of 7 Szeged
- 3. Department of Medical Physics and Medical Informatics, University of Szeged
Description
- S1 File - Short videos representing the interaction of the 6 different biomolecules (KGD, KRSR, LGD, LRSR, RGD and RSR) with the 3 different TiO2 surface (anatase, amorphous and rutile).
- S2 File - A representative trajectory file of the LRSR peptide and amorphous TiO2 surface MD simulation without the ions and water molecules.
- S3 File - Force-distance curve data for the binding energy calculations.