Molecular dynamics on laccase from Trametes versicolor to examine thermal stability induced by salt bridges

Chemical Physics(2019)

Cited 13|Views11
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Abstract
•A quantitative methodology to propose and test surface mutations to form stabilizing salt bridges was developed.•Arginine residues proved to be better than lysine to induce thermostability, as experimental reports have stated.•Clustering with principal component analysis allowed structure classification and comparison in MD trajectories.•The weakest interdomain interaction in Trametes versicolor laccase is among domains A and C.
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Key words
Thermostability,Fungal laccase,Molecular dynamics simulations,Cluster analysis,Electrostatics,MMPBSA
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