Orlando Acevedo
Affiliations: | Auburn University, Auburn, AL, United States |
Area:
BiochemistryWebsite:
http://www.auburn.edu/academic/cosam/faculty/chemistry/acevedo/research1/acevedo_group/people.htmlGoogle:
"Orlando Acevedo"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| 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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Publications
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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 |