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ACS Omega|May 30, 2023
Computational Insights into the Formation and Structure of S-N Containing Cyclic PeptidesSedat Karabulut, Dananjana V Wijerathne, James W GauldRSC Advances|August 3, 2022
Computational insights into the formation and nature of the sulfilimine bond in collagen-IVAnupom Roy, Taqred H Alnakhli, James W GauldEuropean Journal of Mass Spectrometry (Chichester, England)|March 19, 2005
Ring complexes of S-nitrosothiols with CU+: a density functional theory studyCristina Baciu, Kyung-Bin Cho, James W GauldThe Journal of Physical Chemistry. B|May 30, 2024
Computational Insights into Protein Aging: Spontaneous Deamidation of GlutamineDananjana V Wijerathne, Sedat Karabulut, James W GauldThe Journal of Physical Chemistry. B|July 21, 2006
Influence of Cu+ on the RS-NO bond dissociation energy of S-nitrosothiolsCristina Baciu, Kyung-Bin Cho, James W GauldInternational Journal of Molecular Sciences|January 4, 2014
Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysisRami Gherib, Hisham M Dokainish, James W GauldThe Journal of Physical Chemistry. B|December 28, 2017
Unraveling the Critical Role Played by Ado762'OH in the Post-Transfer Editing by Archaeal Threonyl-tRNA SynthetaseMohamed M Aboelnga, John J Hayward, James W GauldThe Journal of Physical Chemistry. B|May 17, 2013
Insights into the catalytic mechanism of coral allene oxide synthase: a dispersion corrected density functional theory studyEric A C Bushnell, Rami Gherib, James W GauldJournal of Biomolecular Structure & Dynamics|January 10, 2024
QM/MM investigation of the discriminatory pre-transfer editing mechanism operated by Lysyl-tRNA synthetaseBogdan F Ion, Mohamed M Aboelnga, James W GauldThe Journal of Physical Chemistry. A|August 22, 2019
Multiscale Computational Study on the Catalytic Mechanism of the Nonmetallo Amidase Maleamate Amidohydrolase (NicF)Bogdan F Ion, Paul J Meister, James W GauldPageof 7