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Published on: September 1, 2023
Use of molecular dynamics data in biochemistry courses: An amphipathy scale to determine protein α-helix
Fernanda M Mazzé1, Carlos A Fuzo, Léo Degrève
1Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, FFCLRP-USP Grupo de Simulação Molecular.
Abstract:
The aim of this manuscript is to explain the application of an amphipathy scale obtained from molecular dynamics simulations and to demonstrate how it can be useful in the protein structure field. It is shown that this scale is easy to be used with the advantage of revealing domains of transmembrane α-helix of proteins without the need of knowing anything besides the protein primary structure. In addition, it allows the students to correlate concepts of protein structure and function, energy minimization, molecular dynamics simulations, and protein location.
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