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Theoretical Investigations of the Interactions Between Peptides and Inorganic Surfaces

Borkowska-Panek, Monika

In this work, an effective implicit surface model (EISM) is introduced, calibrated, and used to reproduce experimental and theoretical binding affinities of peptides to inorganic surfaces. Next, this model is used for theoretical peptide design. Also, an anlytical model explaining the binding process of peptides to magnetite nanoparticles mediated by a buffer is proposed. Finally, quantum-chemical calculations are performed to ivnestigate the electronic structure of magnetite.

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DOI: 10.5445/IR/1000065849
Zugehörige Institution(en) am KIT Institut für Physikalische Chemie (IPC)
Institut für Nanotechnologie (INT)
Publikationstyp Hochschulschrift
Jahr 2017
Sprache Englisch
Identifikator urn:nbn:de:swb:90-658499
KITopen-ID: 1000065849
HGF-Programm 43.21.04 (POF III, LK 01)
Verlag KIT, Karlsruhe
Umfang II, 107 S.
Abschlussart Dissertation
Fakultät Fakultät für Chemie und Biowissenschaften (CHEM-BIO)
Institut Institut für Physikalische Chemie (IPC)
Prüfungsdatum 10.02.2017
Referent/Betreuer PD Dr. K. Fink
Schlagworte iron oxides, nanoparticles, peptides, theoretical chemistry, Monte Carlo
KIT – Die Forschungsuniversität in der Helmholtz-Gemeinschaft
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