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Experimentally validated computational docking to characterize protein- protein interactions

Livoti, Elsa Livoti (2017) Experimentally validated computational docking to characterize protein- protein interactions. Doctor of Philosophy (PhD) thesis, University of Kent,. (KAR id:67450)

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Each biomolecule in a living organism needs to adopt a specific threedimensional conformation to function properly. Function itself is usually

knowledge at atomic level of biomolecules and their interaction is important to

strategies to interfere with them when necessary.

prominent role in basic research as well as in the biotechnology and

proteins (epitopes) is useful for purposes ranging from molecular biology

During my PhD studies I used a combination of solution NMR mapping,

biophysical characterization of new neutralizing antibodies from Dengue

four Dengue serotypes and the binding of different antibodies to the same

selectivity for different viral strains and then increase its neutralization by

x-ray structure.

CXCL12 with the chromatin-associated protein HMGB1, confirming their

cellular activity. High profile publications resulted from the two above

The above mentioned projects relied heavily on solution NMR spectroscopy,

interfaces and, as a consequence, to antibody epitope discovery. Having

subsequently used this experimental information to guide and validate

structure of the protein-protein (or antibody-protein) complex of interest. In

NMR and computational simulations to study antibody-antigen interactions,


Item Type: Thesis (Doctor of Philosophy (PhD))
Thesis advisor: Varani, Luca
Thesis advisor: Sumbayev, Vadim
Uncontrolled keywords: HSQC: Heteronuclear Single Quantum Coherence HMGB1: High Motility Group Box 1 NMR: Nuclear Magnetic Resonance SPR: Surface Plasmon Resonanc
Divisions: Faculties > Sciences > Medway School of Pharmacy
SWORD Depositor: System Moodle
Depositing User: System Moodle
Date Deposited: 29 Jun 2018 09:10 UTC
Last Modified: 06 May 2020 03:17 UTC
Resource URI: (The current URI for this page, for reference purposes)
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