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EnglishThe 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.
| Titolo: | Protein Conformational Changes and Low-Frequency Vibrational Modes: A Similarity Analysis |
| Autori: | |
| Data di pubblicazione: | 2020 |
| Serie: | |
| 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. |
| ISBN: | 978-3-030-30012-8 |
| Appare nelle tipologie: | 4.1 Contributo in Atti di convegno |
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| File | Descrizione | Tipologia | Licenza | |
|---|---|---|---|---|
| Scar_et_al_SEM2019.pdf | Articolo principale | 2. Post-print / Author's Accepted Manuscript | PUBBLICO - Tutti i diritti riservati | Visibile a tuttiVisualizza/Apri |
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