Structural behavior of phenylalanine–tryptophan peptide nanotubes at anhydrous conditions: a theoretical investigation
作者： H. A. S. Freitas , A. L. J. Saraiva , T. A. Silva , C. C. Coutinho-Filho , R. L. R. P. Fagury
DOI: 10.1007/S00214-019-2457-7
关键词: Phenylalanine 、 Molecule 、 Anhydrous 、 Tryptophan 、 Molecular dynamics 、 Combinatorial chemistry 、 Atmospheric temperature range 、 Peptide 、 Work (thermodynamics) 、 Chemistry
摘要: We study the structural behavior of peptide nanotubes formed by zwitterionic molecules under water-unfilled condition. The is conducted via density functional-based tight-binding molecular dynamics simulations. During simulation, each molecule that forms subunit keeps structure stable without presence an external factor even at considerable temperatures. With our results, we can thus speculate on temperature range system will work undergoing degradation process and be safely used in possible applications.
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