Dissecting the Supramolecular Dispersion of Fullerenes by Proteins/Peptides: Amino Acid Ranking and Driving Forces for Binding to C<sub>60</sub>
Molecular dynamics simulations were used to quantitatively investigate the interactions between the twenty proteinogenic amino acids and C<sub>60</sub>. The conserved amino acid backbone gave a constant energetic interaction ~5.4 kcal mol<sup>−1</sup>, while the contribution...
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Autores principales: | Tainah Dorina Marforio, Alessandro Calza, Edoardo Jun Mattioli, Francesco Zerbetto, Matteo Calvaresi |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
MDPI AG
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/71321e2ce50e4d01ac38aa3495d3a731 |
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