Multi-spectroscopic and molecular dynamics simulations investigation of the binding mechanism of polybrominated diphenyl ethers to hen egg white lysozyme.

Volume: 34, Issue: 7, Pages: 749 - 758
Published: Jul 1, 2019
Abstract
Three PBDEs (BDE25, BDE47, and BDE154) were selected to investigate the interactions between PBDEs and hen egg white lysozyme (HEWL) by molecular modeling, fluorescence spectroscopy, and FT-IR spectra. The docking results showed that hydrogen bonds were formed between BDE25 and residue TRP63 and between BDE47 and TRP63 with bond lengths of 2.178 A and 2.146 A, respectively. The molecular dynamics simulations indicated that van der Waals forces...
Paper Details
Title
Multi-spectroscopic and molecular dynamics simulations investigation of the binding mechanism of polybrominated diphenyl ethers to hen egg white lysozyme.
Published Date
Jul 1, 2019
Volume
34
Issue
7
Pages
749 - 758
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