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• W2000446980 abstract "Long-time equilibrium molecular dynamics simulations were performed to study the passage of a substrate, L: -arabinose, through nanopores of orthorhombic hen egg white lysozyme crystals. Cross-linked protein crystals (CLPC), as novel biological nanoporous media, consist of an extensive regular matrix of chiral solvent-filled nanopores via which ions and solutes, e.g. sugars and amino acids, travel in and out. We studied the diffusive motion of arabinose inside protein channels. The computed diffusion coefficients within the crystal were orders of magnitudes lower relative to the diffusion coefficient of the solute in water. This study is valuable for understanding the nature of solute-protein interactions and transport phenomena in CLPCs and provides an understanding of biocatalytic and bioseparation processes using CLPC." @default.
• W2000446980 created "2016-06-24" @default.
• W2000446980 creator A5087941531 @default.
• W2000446980 date "2007-07-20" @default.
• W2000446980 modified "2023-10-17" @default.
• W2000446980 title "Solute transport in orthorhombic lysozyme crystals: a molecular simulation study" @default.
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• W2000446980 doi "https://doi.org/10.1007/s10529-007-9466-7" @default.
• W2000446980 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2045120" @default.
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