Radical Stabilization Energies for Enzyme Engineering – Tackling the Substrate Scope of the Radical Enzyme QueE: QM input and outputs
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https://figshare.com/articles/Radical_Stabilization_Energies_for_Enzyme_Engineering_Tackling_the_Substrate_Scope_of_the_Radical_Enzyme_QueE_QM_input_and_outputs/7923659/1
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QM calculation structures and output files for RSE calculations of alternative substrates as listed in publication<br>(Gaussian outputs are truncated by time information to be in compliance with the company's restrictions on sharing calculation data)
创建时间：
2019-03-29
