Cassian D'Cunha, Ph.D.
Affiliations: | 2011 | Florida International University, Miami, FL, United States |
Area:
Physical Chemistry, Biochemistry, Bioinformatics BiologyGoogle:
"Cassian D'Cunha"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| David C. Chatfield | grad student | 2011 | Florida International | |
| (Theoretical study of chloroperoxidase catalyzed chlorination of beta-cyclopentanedione and role of water in the chlorination mechanism.) | ||||
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Publications
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| D'Cunha C, Morozov AN, Chatfield DC. (2013) Theoretical study of HOCl-catalyzed keto-enol tautomerization of β-cyclopentanedione in an explicit water environment. The Journal of Physical Chemistry. A. 117: 8437-48 |
| Morozov AN, D'Cunha C, Alvarez CA, et al. (2011) Enantiospecificity of chloroperoxidase-catalyzed epoxidation: biased molecular dynamics study of a cis-β-methylstyrene/chloroperoxidase-compound I complex. Biophysical Journal. 100: 1066-75 |
| Chatfield DC, Augsten A, D'Cunha C. (2004) Correlation times and adiabatic barriers for methyl rotation in SNase. Journal of Biomolecular Nmr. 29: 377-85 |
| Chatfield D, Augsten A, D'Cunha C, et al. (2004) Theoretical and Experimental Study of the Regioselectivity of Michael Additions European Journal of Organic Chemistry. 2004: 313-322 |
| Chatfield DC, Augsten A, D'Cunha C, et al. (2003) Methyl dynamics in crystalline amino acids: MD and NMR. Journal of Computational Chemistry. 24: 1052-8 |