THz frequency spectrum of BLIP protein-water interaction energy

Other Title(s)

الطيف الترددي في مدى التيراهيرتز للطاقة التفاعلية بين بروتين BLIP و الماء المحيط به

Dissertant

Abu Lubdah, Khadijah Musa

Thesis advisor

Karain, Wail

University

Birzeit University

Faculty

Faculty of Science

Department

Department of Physics

University Country

Palestine (West Bank)

Degree

Master

Degree Date

2018

English Abstract

The vibration spectrum of water hydrogen bonds and the large amplitude motion modes of proteins can be characterized by the THz frequency spectrum of protein-water non-bonded interaction energy.

This spectrum can be computed using recurrence plots based on Wiener-Khinchin method (RPWK).

In this thesis, THz frequency spectra for non-bonded interaction energy between all residues in the β-Lactamase Inhibitory Protein (BLIP), and water molecules within 10 angstroms are calculated at 150K and 310K temperatures, respectively.

The results obtained are also compared to those determined using the auto-covariance based Wiener-Khinchin method (WK).

Moreover all residues are grouped together according to their sidechain physico-chemical properties to compare their spectra.

We found that RPWK method robustly detects frequency data points for residues especially at high frequencies.

We also found that most of detected are hydrophilic which consistent with their likely high contact with the solvent.

Main Subjects

Physics

Topics

• Vibrations
• Beta lactamases
• Inhibitors

No. of Pages

43

Table of Contents

• APA
• MLA
• AMA

Language

English

Data Type

Arab Theses

Record ID

BIM-837060