Dataset for "A Family of Di-Glutamate Mucin Degrading Enzymes that Bridges Glycan Hydrolases and Peptidases"
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This dataset provides the classical and QM/MM MD simulation trajectory data to the manuscript: A Family of Di-Glutamate Mucin Degrading Enzymes that Bridges Glycan Hydrolases and Peptidases The data set contains classical MD simulations of HC7 with substrate peptides, thermodynamics integration (TI) simulations, as well as QM/MM OPES-explore simulations for our manuscript. PDB files for Figure 4f and Figure S21 are also included. A high resolution pdf file of Figure S28 is included, too.
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Zenodo创建时间:
2023-11-22



