Orlando Acevedo

Auburn University, Auburn, AL, United States 
"Orlando Acevedo"
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Jeffrey D. Evanseck grad student 2003 Duquesne University
 (Principles of chemical reactivity on the Diels -Alder reaction in ionic liquids and Lewis acid catalysis using large-scale computations.)
William L. Jorgensen post-doc 2003-2006 Yale
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Allen CR, Ghebreab R, Doherty B, et al. (2016) Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles using QM/MM Simulations. The Journal of Physical Chemistry. B
McCann BW, McFarland S, Acevedo O. (2015) Benchmarking Continuum Solvent Models for Keto-Enol Tautomerizations. The Journal of Physical Chemistry. A. 119: 8724-33
Allen C, McCann BW, Acevedo O. (2015) Ionic liquid effects on nucleophilic aromatic substitution reactions from QM/MM simulations. The Journal of Physical Chemistry. B. 119: 743-52
Acevedo O, Jorgensen WL. (2014) Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 422-435
Acevedo O. (2014) Simulating chemical reactions in ionic liquids using QM/MM methodology. The Journal of Physical Chemistry. A. 118: 11653-66
Armacost K, Musila J, Gathiaka S, et al. (2014) Exploring the catalytic mechanism of alkanesulfonate monooxygenase using molecular dynamics. Biochemistry. 53: 3308-17
Gui S, Gathiaka S, Li J, et al. (2014) A remodeled protein arginine methyltransferase 1 (PRMT1) generates symmetric dimethylarginine. The Journal of Biological Chemistry. 289: 9320-7
Munigunti R, Gathiaka S, Acevedo O, et al. (2014) Determination of antiplasmodial activity and binding affinity of curcumin and demethoxycurcumin towards PfTrxR. Natural Product Research. 28: 359-64
Armacost K, Acevedo O. (2014) Exploring the aldol reaction using catalytic antibodies and "on water" organocatalysts from QM/MM calculations. Journal of the American Chemical Society. 136: 147-56
Choi J, Landrette SF, Wang T, et al. (2014) Identification of PLX4032-resistance mechanisms and implications for novel RAF inhibitors. Pigment Cell & Melanoma Research. 27: 253-62
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