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The Journal of Physical Chemistry. A|September 28, 2011
The α-amino group of the threonine substrate as the general base during tRNA aminoacylation: a new version of substrate-assisted catalysis predicted by hybrid DFTWenjuan Huang, Eric A C Bushnell, Christopher S Francklyn, et al.
The Journal of Physical Chemistry. B|July 5, 2011
A sulfonium cation intermediate in the mechanism of methionine sulfoxide reductase B: a DFT studyJesse J Robinet, Hisham M Dokainish, David J Paterson, et al.
The Journal of Physical Chemistry. B|November 25, 2010
Computational insights into the mechanism of porphobilinogen synthaseEdvin Erdtman, Eric A C Bushnell, James W Gauld, et al.
International Journal of Molecular Sciences|December 4, 2012
A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) study on Ornithine Cyclodeaminase (OCD): a tale of two iminiumsBogdan F Ion, Eric A C Bushnell, Phil De Luna, et al.
Proteins|October 5, 2022
Fundamentals behind the specificity of Cysteinyl-tRNA synthetase: MD and QM/MM joint investigationsBinbin Chen, Basel Mansour, En Zheng, et al.
Physical Chemistry Chemical Physics : PCCP|July 1, 2014
The catalytic formation of leukotriene C4: a critical step in inflammatory processesCorey A MacDonald, Eric A C Bushnell, James W Gauld, et al.
Molecules (Basel, Switzerland)|October 27, 2022
The Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro DataSedat Karabulut, Basel Mansour, Gerardo M Casanola-Martin, et al.
Journal of Chemical Information and Modeling|October 15, 2021
Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase-9 Using QM/MM CalculationsBinbin Chen, Zhengzhong Kang, En Zheng, et al.
ACS Applied Materials & Interfaces|October 4, 2022
Conjugated Polymer Nanoparticles as a Universal High-Affinity Probe for the Selective Detection of MicroplasticsAngela Awada, Mark Potter, Dananjana Wijerathne, et al.
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