| 1 |
Oligomerization of 3-substituted quinolines by catalytic activity of soybean peroxidase as a wastewater treatment. Product formation and computational studies
Mashhadi N, Taylor KE, Biswas N, Meister P, Gauld JW
Chemical Engineering Journal, 364, 340, 2019 |
| 2 |
Multiscale Computational Study on the Catalytic Mechanism of the Nonmetallo Amidase Maleamate Amidohydrolase (NicF)
Ion BF, Meister PJ, Gauld JW
Journal of Physical Chemistry A, 123(36), 7710, 2019 |
| 3 |
Unraveling the Critical Role Played by (Ado76)2 ' OH in the Post-Transfer Editing by Archaeal Threonyl-tRNA Synthetase
Aboelnga MM, Hayward JJ, Gauld JW
Journal of Physical Chemistry B, 122(3), 1092, 2018 |
| 4 |
A Pseudohypervalent Sulfur Intermediate as an Oxidative Protective Mechanism in the Archaea Peroxiredoxin Enzyme ApTPx
Dokainish HM, Simard DJ, Gauld JW
Journal of Physical Chemistry B, 121(27), 6570, 2017 |
| 5 |
Roles of the Active Site Zn(II) and Residues in Substrate Discrimination by Threonyl-tRNA Synthetase: An MD and QM/MM Investigation
Aboelnga MM, Gauld JW
Journal of Physical Chemistry B, 121(25), 6163, 2017 |
| 6 |
Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis
Gherib R, Dokainish HM, Gauld JW
International Journal of Molecular Sciences, 15(1), 401, 2014 |
| 7 |
A Density Functional Theory Investigation into the Binding of the Antioxidants Ergothioneine and Ovothiol to Copper
De Luna P, Bushnell EAC, Gauld JW
Journal of Physical Chemistry A, 117(19), 4057, 2013 |
| 8 |
Insights into the Catalytic Mechanism of Coral Allene Oxide Synthase: A Dispersion Corrected Density Functional Theory Study
Bushnell EAC, Gherib R, Gauld JW
Journal of Physical Chemistry B, 117(22), 6701, 2013 |
| 9 |
A Molecular Dynamics Examination on Mutation-Induced Catalase Activity in Coral Allene Oxide Synthase
De Luna P, Bushnell EAC, Gauld JW
Journal of Physical Chemistry B, 117(47), 14635, 2013 |
| 10 |
Model Iron-Oxo Species and the Oxidation of Imidazole: Insights into the Mechanism of OvoA and EgtB?
Bushnell EAC, Fortowsky GB, Gauld JW
Inorganic Chemistry, 51(24), 13351, 2012 |
