lunduniversity.lu.se

Theoretical Chemistry

Lund University

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Geng Dong, PhD Student

Research interest

Metalloenzymes studied by theoretical methods.

Publications

  1. W. Z. Lai, R. Cao, G. Dong, S. Shaik, J. N. Yao, H. Chen, Why Is Cobalt the Best Transition Metal in Transition-Metal Hangman Corroles for O−O Bond Formation during Water Oxidation? J. Phys. Chem. Lett. 2012, 3, 2315-2319.
  2. G. Dong, S. Shaik, W. Z. Lai, Oxygen activation by homoprotocatechuate 2,3-dioxygenase: a QM/MM study reveals the key intermediates in the activation cycle Chem. Sci. 2013, 4,3624-3635.
  3. G. Dong; W. Z. Lai, Reaction Mechanism of Homoprotocatechuate 2,3-Dioxygenase with 4-Nitrocatechol: Implications for the Role of Substrate. J. Phys. Chem. B 2014, 118, 1791-1798.
  4. L. Cao, G. Dong, W. Z. Lai, Reaction Mechanism of Cobalt-Substituted Homoprotocatechuate 2,3-Dioxygenase: A QM/MM Study J. Phys. Chem. B 2015, 119, 4608-4616.

Software

Turbomole, Amber, ComQum, ChemShell, Gaussion.

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Contact

Phone
+46-46-222 86 02
E-mail
geng [dot] dong [at] teokem [dot] lu [dot] se
Fax
+46-46-222 86 48