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QM/MM analysis of effect of divalent metal ions on OPRT action

N N Subrahmanyeswara Rao1, Parag A Deshpande1

  • 1Quantum and Molecular Engineering Laboratory, Department of Chemical Engineering, Indian Institute of Technology Kharagpur, Kharagpur 721302, India.

Computational Biology and Chemistry
|March 24, 2018
PubMed

Keywords:
Binding energyDivalent metal ionsEnzyme-substrate complexInhibitorQuantum mechanics/molecular mechanics

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