The study of protein vibration and dynamics is receiving increasing attention among researchers, both from a numerical and experimental perspective. By using terahertz spectroscopy techniques, it has been shown that conformational changes, crucial for protein biological function, are strictly related to low-frequency vibrational modes. These motions generally occur in the terahertz range (~0.1–2 THz) involving large portions of the protein. The present contribution aims at investigating the role of terahertz (expansion-contraction) vibrational modes to protein conformational change from a numerical viewpoint. Modal analysis is performed by using Cα-only coarse-grained mechanical models: the obtained mode shapes are compared, by means of three similarity indexes, to the displacement field of protein conformational change. In particular, lysine-arginine-ornithine (LAO) binding protein is selected as a case study.

Protein Conformational Changes and Low-Frequency Vibrational Modes: A Similarity Analysis / Scaramozzino, Domenico; Lacidogna, Giuseppe; Carpinteri, Alberto. - STAMPA. - 4:(2020), pp. 7-9. (Intervento presentato al convegno Annual Conference on Experimental and Applied Mechanics 2019 tenutosi a Reno (USA) nel 3 - 6 Giugno 2019) [10.1007/978-3-030-30013-5_2].

Protein Conformational Changes and Low-Frequency Vibrational Modes: A Similarity Analysis

Domenico Scaramozzino;Giuseppe Lacidogna;Alberto Carpinteri
2020

Abstract

The study of protein vibration and dynamics is receiving increasing attention among researchers, both from a numerical and experimental perspective. By using terahertz spectroscopy techniques, it has been shown that conformational changes, crucial for protein biological function, are strictly related to low-frequency vibrational modes. These motions generally occur in the terahertz range (~0.1–2 THz) involving large portions of the protein. The present contribution aims at investigating the role of terahertz (expansion-contraction) vibrational modes to protein conformational change from a numerical viewpoint. Modal analysis is performed by using Cα-only coarse-grained mechanical models: the obtained mode shapes are compared, by means of three similarity indexes, to the displacement field of protein conformational change. In particular, lysine-arginine-ornithine (LAO) binding protein is selected as a case study.
2020
978-3-030-30012-8
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11583/2784360