| 1 |
Proximal Pocket Controls Alkene Oxidation Selectivity of Cytochrome P450 and Chloroperoxidase toward Small, Nonpolar Substrates
Chatfield DC, Morozov AN
Journal of Physical Chemistry B, 122(32), 7828, 2018 |
| 2 |
Proximal Pocket Hydrogen Bonds Significantly Influence the Mechanism of Chloroperoxidase Compound I Formation
Pardillo AD, Morozov AN, Chatfield DC
Journal of Physical Chemistry B, 119(39), 12590, 2015 |
| 3 |
Chloroperoxidase-Catalyzed Epoxidation of Cis-beta-Methylstyrene: NH-S Hydrogen Bonds and Proximal Helix Dipole Change the Catalytic Mechanism and Significantly Lower the Reaction Barrier
Morozov AN, Pardillo AD, Chatfield DC
Journal of Physical Chemistry B, 119(45), 14350, 2015 |
| 4 |
Chloroperoxidase-Catalyzed Epoxidation of cis-beta-Methylstyrene: Distal Pocket Flexibility Tunes Catalytic Reactivity
Morozov AN, Chatfield DC
Journal of Physical Chemistry B, 116(43), 12905, 2012 |
| 5 |
Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
Das D, Eurenius KP, Billings EM, Sherwood P, Chatfield DC, Hodoscek M, Brooks BR
Journal of Chemical Physics, 117(23), 10534, 2002 |
| 6 |
Quantized dynamical bottlenecks and transition state control of the reaction of D with H-2: Effect of varying the total angular momentum
Chatfield DC, Mielke SL, Allison TC, Truhlar DG
Journal of Chemical Physics, 112(19), 8387, 2000 |
| 7 |
Methyl motional parameters in crystalline L-alanine: Molecular dynamics simulation and NMR
Chatfield DC, Wong SE
Journal of Physical Chemistry B, 104(47), 11342, 2000 |
| 8 |
Molecular dynamics of staphylococcal nuclease : Comparison of simulation with N-15 and C-13 NMR relaxation data
Chatfield DC, Szabo A, Brooks BR
Journal of the American Chemical Society, 120(21), 5301, 1998 |
| 9 |
HIV-1 Protease Cleavage Mechanism Elucidated with Molecular-Dynamics Simulation
Chatfield DC, Brooks BR
Journal of the American Chemical Society, 117(20), 5561, 1995 |
