Cassian D'Cunha, Ph.D. - Publications
Affiliations: | 2011 | Florida International University, Miami, FL, United States |
Area:
Physical Chemistry, Biochemistry, Bioinformatics BiologyYear | Citation | Score | |||
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2013 | D'Cunha C, Morozov AN, Chatfield DC. 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. PMID 23902476 DOI: 10.1021/jp401409y | 0.582 | |||
2011 | Morozov AN, D'Cunha C, Alvarez CA, Chatfield DC. Enantiospecificity of chloroperoxidase-catalyzed epoxidation: biased molecular dynamics study of a cis-β-methylstyrene/chloroperoxidase-compound I complex. Biophysical Journal. 100: 1066-75. PMID 21320452 DOI: 10.1016/J.Bpj.2010.12.3729 | 0.595 | |||
2004 | Chatfield DC, Augsten A, D'Cunha C. Correlation times and adiabatic barriers for methyl rotation in SNase. Journal of Biomolecular Nmr. 29: 377-85. PMID 15213436 DOI: 10.1023/B:Jnmr.0000032553.13686.0B | 0.612 | |||
2004 | Chatfield D, Augsten A, D'Cunha C, Lewandowska E, Wnuk S. Theoretical and Experimental Study of the Regioselectivity of Michael Additions European Journal of Organic Chemistry. 2004: 313-322. DOI: 10.1002/Ejoc.200300523 | 0.574 | |||
2003 | Chatfield DC, Augsten A, D'Cunha C, Wong SE. Methyl dynamics in crystalline amino acids: MD and NMR. Journal of Computational Chemistry. 24: 1052-8. PMID 12759905 DOI: 10.1002/Jcc.10263 | 0.615 | |||
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