Quantum Molecular Dynamics Study on the Reaction Mechanism of Nitrilase toward an Aliphatic Dinitrile Substrate

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journal：The Journal of Physical Chemistry B

Authors：Abhishek Kumar; Gladstone Sigamani Gunaseelan; Roopa Lalitha; Jagan Mohan Rao Tingirikari; Pravin Kumar Ramalingam

Published date：2026-4-16

DOI：10.1021/acs.jpcb.6c00014

PDF link：https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6c00014

Article link：https://doi.org/10.1021/acs.jpcb.6c00014

Article Source：American Chemical Society (ACS)。

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