Title : How Pure and Hydrated Reline Deep Eutectic Solvents Affect the Conformation and Stability of Lysozyme: Insights from Atomistic Molecular Dynamics Simulations.

Pub. Date : 2020 Dec 31

PMID : 33346655






4 Functional Relationships(s)
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1 The lysozyme structure was found to be partially folded in both reline and reline/water mixtures. Water lysozyme Homo sapiens
2 Root-mean-square deviation (RMSD) of the positions of Calpha atoms of lysozyme indicate that 50/50 reline/water solvent induces more destabilization in the conformation of HEWL than that by pure reline and 75/25 reline/water mixture. Water lysozyme Homo sapiens
3 Root-mean-square deviation (RMSD) of the positions of Calpha atoms of lysozyme indicate that 50/50 reline/water solvent induces more destabilization in the conformation of HEWL than that by pure reline and 75/25 reline/water mixture. Water lysozyme Homo sapiens
4 From the root-mean-square fluctuation (RMSF) analysis, it is found that the lysozyme active site (Glu35-Asp52) is quite stable in the presence of pure reline but it is least stable in the presence of 50/50 reline/water mixture. Water lysozyme Homo sapiens