Protein chains in tight-binding framework.

Area of Science:

• * Computational physics
• * Biophysics
• * Materials science

Background:

• * Investigates electronic properties of protein chains.
• * Explores finite and infinite configurations of three unique protein conformations.
• * Analyzes band structure and density of states.

Purpose of the Study:

• * To assess the electronic properties (band structure, density of states) of protein chains.
• * To understand the impact of finite vs. infinite configurations on electronic behavior.
• * To determine the influence of temperature on protein electronic spectra.

Main Methods:

• * Utilized the tight-binding Hamiltonian method.
• * Employed Green's function formalism for analysis.
• * Studied protein chains of thirty-six amino acids with varying bond types (covalent, peptide, non-covalent).

Main Results:

• * Finite protein conformations show flat energy dispersion curves and discrete energy levels due to localized states.
• * Infinite protein chains exhibit continuous band structure, displaying narrow-gap semiconducting behavior.
• * Temperature variations alter peak heights and positions in the energy spectra for all conformations.

Conclusions:

• * Protein chain conformation significantly influences electronic properties.
• * Localized states dominate in finite chains, while periodicity governs infinite chains.
• * Temperature is a critical factor modulating the electronic behavior of protein systems.