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Theoretical Investigations of the Interactions Between Peptides and Inorganic Surfaces

Borkowska-Panek, Monika

Abstract:
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.


Zugehörige Institution(en) am KIT Institut für Physikalische Chemie (IPC)
Publikationstyp Hochschulschrift
Jahr 2017
Sprache Englisch
Identifikator DOI(KIT): 10.5445/IR/1000065849
URN: urn:nbn:de:swb:90-658499
KITopen ID: 1000065849
Verlag Karlsruhe
Umfang II, 107 S.
Abschlussart Dissertation
Fakultät Fakultät für Chemie und Biowissenschaften (CHEM-BIO)
Institut Institut für Physikalische Chemie (IPC)
Prüfungsdaten 10.02.2017
Referent/Betreuer PD Dr. K. Fink
Schlagworte iron oxides, nanoparticles, peptides, theoretical chemistry, Monte Carlo
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