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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Thakur A, Somai S, Yue K, et al. (2020) Substrate-Dependent Mobile Loop Conformational Changes in Alkanesulfonate Monooxygenase from Accelerated Molecular Dynamics. Biochemistry
Velez C, Doherty B, Acevedo O. (2020) Accurate Diels-Alder Energies and Selectivity in Ionic Liquids Using the OPLS-VSIL Force Field. International Journal of Molecular Sciences. 21
Thakur A, Hevel JM, Acevedo O. (2019) Examining Product Specificity in Protein Arginine Methyltransferase 7 (PRMT7) using QM/MM Simulations. Journal of Chemical Information and Modeling
Doherty B, Acevedo O. (2018) OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents. The Journal of Physical Chemistry. B
Nath C, Badavath VN, Thakur A, et al. (2018) Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm. 9: 1164-1171
Doherty B, Zhong X, Acevedo O. (2018) A Virtual Site OPLS Force Field for Imidazolium-Based Ionic Liquids. The Journal of Physical Chemistry. B
Caceres T, Thakur A, Price OM, et al. (2018) Phe 71 in type III Trypanosomal protein arginine methyltransferase 7 (TbPRMT7) restricts the enzyme to monomethylation. Biochemistry
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
Gathiaka S, Boykin B, Cáceres T, et al. (2016) Understanding protein arginine methyltransferase 1 (PRMT1) product specificity from molecular dynamics. Bioorganic & Medicinal Chemistry
McCann BW, McFarland S, Acevedo O. (2015) Benchmarking Continuum Solvent Models for Keto-Enol Tautomerizations. The Journal of Physical Chemistry. A. 119: 8724-33
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