David Chatfield - Publications

Florida International University, Miami, FL, United States 
Physical Chemistry, Biochemistry, Bioinformatics Biology

18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Chatfield DC, Morozov AN. Proximal Pocket Controls Alkene Oxidation Selectivity of Cytochrome P450 and Chloroperoxidase toward Small, Nonpolar Substrates. The Journal of Physical Chemistry. B. PMID 30052045 DOI: 10.1021/acs.jpcb.8b04279  0.44
2016 Morozov AN, Chatfield DC. How the Proximal Pocket May Influence the Enantiospecificities of Chloroperoxidase-Catalyzed Epoxidations of Olefins. International Journal of Molecular Sciences. 17. PMID 27517911 DOI: 10.3390/ijms17081297  0.84
2015 Morozov AN, Pardillo AD, Chatfield DC. Chloroperoxidase-Catalyzed Epoxidation of Cis-β-Methylstyrene: NH-S Hydrogen Bonds and Proximal Helix Dipole Change the Catalytic Mechanism and Significantly Lower the Reaction Barrier. The Journal of Physical Chemistry. B. 119: 14350-63. PMID 26452587 DOI: 10.1021/acs.jpcb.5b06731  0.84
2015 Pardillo AD, Morozov AN, Chatfield DC. Proximal Pocket Hydrogen Bonds Significantly Influence the Mechanism of Chloroperoxidase Compound I Formation. The Journal of Physical Chemistry. B. 119: 12590-602. PMID 26339752 DOI: 10.1021/acs.jpcb.5b06324  0.84
2014 Morozov AN, Roach JP, Kotzer M, Chatfield DC. A possible mechanism for redox control of human neuroglobin activity. Journal of Chemical Information and Modeling. 54: 1997-2003. PMID 24855999 DOI: 10.1021/ci5002108  0.84
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  0.84
2012 Morozov AN, Chatfield DC. Chloroperoxidase-catalyzed epoxidation of cis-β-methylstyrene: distal pocket flexibility tunes catalytic reactivity. The Journal of Physical Chemistry. B. 116: 12905-14. PMID 23020548 DOI: 10.1021/jp302763h  0.84
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  0.84
2010 Landrum JT, Chatfield DC, Mebel AM, Alvarez-Calderon F, Fernandez MV. The conformation of end-groups is one determinant of carotenoid topology suitable for high fidelity molecular recognition: a study of beta- and epsilon-end-groups. Archives of Biochemistry and Biophysics. 493: 169-74. PMID 19850003 DOI: 10.1016/j.abb.2009.10.007  0.84
2007 Simovic D, Di M, Marks V, Chatfield DC, Rein KS. 1,3-dipolar cycloadditions of trimethylsilyldiazomethane revisited: steric demand of the dipolarophile and the influence on product distribution. The Journal of Organic Chemistry. 72: 650-3. PMID 17221990 DOI: 10.1021/jo061838t  0.84
2005 Lewandowska E, Chatfield DC. Regioselectivity of Michael additions to 3-(pyridin-3-yl or pyrimidin-2-yl)-propenoates and their N-oxides - Experimental and theoretical studies European Journal of Organic Chemistry. 3297-3303. DOI: 10.1002/ejoc.200500058  0.84
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  0.84
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  0.84
2002 Das D, Eurenius KP, Billings EM, Sherwood P, Chatfield DC, Hodoŝĉek M, Brooks BR. Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method Journal of Chemical Physics. 117: 10534-10547. DOI: 10.1063/1.1520134  0.84
1998 Chatfield DC, Szabo A, Brooks BR. Molecular dynamics of staphylococcal nuclease: Comparison of simulation with 15N and 13C NMR relaxation data Journal of the American Chemical Society. 120: 5301-5311. DOI: 10.1021/ja972215n  0.84
1995 Chatfield DC, Brooks BR. HIV-1 protease cleavage mechanism elucidated with molecular dynamics simulation Journal of the American Chemical Society. 117: 5561-5572. DOI: 10.1021/ja00125a018  0.84
1991 Chatfield DC, Friedman RS, Truhlar DG, Schwenke DW. Quantum-dynamical characterization of reactive transition states Faraday Discussions of the Chemical Society. 91: 289-304. DOI: 10.1039/DC9919100289  0.84
1989 Duneczky C, Wyatt RE, Chatfield D, Haug K, Schwenke DW, Truhlar DG, Sun Y, Kouri DJ. Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering Computer Physics Communications. 53: 357-379. DOI: 10.1016/0010-4655(89)90173-2  0.84
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