Mechanistic Insights and Computer-Informed Design of α-Galactosidase for Galactooligosaccharide Synthesis
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https://figshare.com/articles/dataset/_b_Mechanistic_Insights_and_Computer-Informed_Design_of_-Galactosidase_for_Galactooligosaccharide_Synthesis_b_/28593935
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This dataset accompanies the manuscript: " Mechanistic Insights and Computer-Informed Design of α-Galactosidase for Galactooligosaccharide Synthesis".It contains sample CHARMM input and output files, and topologies required for QM/MM MD and QM/MM umbrella sampling simulations of hydrolysis and transglycosylation reaction in a GH27 family Saccharomyces cerevisiae α-galactosidase (ScAGal).
创建时间：
2025-04-10
