Data for SmarTSzyme: biasing the mutational landscape in enzymes with QM/MM and chemical dynamics to manipulate catalytic activity
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Topology files, coordinates and mutability scores of the enzyme variants studied in the manuscript "SmarTSzyme: biasing the mutational landscape in enzymes with QM/MM and chemical dynamics to manipulate catalytic activity", which have been generated using SmarTSzyme.
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Zenodo创建时间:
2025-10-14



