| Authors |
Title |
Journal |
| Troy Wymore, David W. Deerfield II and John Hempel |
Mechanistic Implications of the Cysteine-Nicotinamide Adduct in Aldehyde Dehydrogenase Based on Quantum Molecular/Molecular Mechanical Simulations |
Biochemistry, 2007, 46: 9495-9506. |
| Adam C. Marko, Kate Stafford and Troy Wymore* |
Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein Structure Modeling |
Journal of Chemical Information and Modeling, 2007, 47:1263-1270. |
| J. Hempel, H. B. Nicholas Jr., S. T. Brown, T. Wymore |
Unexpected Encounters in Simulations of the ALDH Mechanism |
Enzymology and Molecular Biology of Carbonyl Metabolism, 2007, 13:9-13. |
| C. H. Davis, D. W. Deerfield II, T. Wymore, D. W. Stafford, L. G. Pedersen |
A Quantum Chemical Study of the Mechanism of Action of Vitamin K Epoxide Reductase (VKOR): II. Transition States |
J. Molecular Graphics and Modeling, 2007, 26:401-408. |
| C. H. Davis, D. W. Deerfield II, T. Wymore, D. W. Stafford, L. G. Peterson |
A Quantum Chemical Study of the Mechanism of Action of Vitamin K Caroxylase (VKC): III. Intermediates |
J. Molecular Graphics and Modeling, 2007, 26:409-414. |
| D. W. Deerfield II, C. H. Davis, T. Wymore, D. W. Stafford, L. G. Pedersen |
Quantum Chemical Study of the Mechanism of Action of Vitamin K Epoxide Reductase (VKOR) |
Int. Journal of Quantum Chemistry, 2006, 106:2944-2952. |
| Troy Wymore*, John Hempel, S. S. Cho, Alexander D. MacKerell, Hugh B. Nicholas and David W. Deerfield |
Molecular Recognition of Aldehydes by Aldehyde Dehydrogenase and Mechanism of Nucleophile Activation |
PROTEINS, 2004, 57:758-771 (COVER Article). |
| Zhanwu Liu, Yan Xu, Alexander C. Saladino, Troy Wymore, Pei Tang |
Parametrization of 2-Bromo-2-Chloro-1,1,1-Trifluoroethane (Halothane) and Hexafluoroethane for Nonboneded Interactions |
Journal of Physical Chemistry, 2004, 108(5):781-786. |
| Troy Wymore*, David W. Deerfield II, Martin J. Field, Hugh B. Nicholas Jr. and John Hempel |
Initial Events in class 3 Aldehyde Dehydrogenase: MM and QM/MM simulations |
Chemico-Biological Interactions, 2003, 143-144:75-84. |
| John Hempel, John Perozich, Troy Wymore and Hugh B. Nicholas Jr. |
An Algorithm for Identification and Ranking of Family-Specific Residues, Applied to the ALDH3 family |
Chemico-Biological Interactions, 2003, 143-144:23-28. |
| Troy Wymore*, Hugh B. Nicholas and John Hempel |
Molecular Dynamics Simulation of class 3 Aldehyde Dehydrogenase |
Chemico-Biological Interactions, 2001, 130-132:201-207. |
| Troy Wymore and Tuck C. Wong |
Structure and Dynamics of ACTH(1-10) on the Surface of the Sodium Dodecylsulfate (SDS) Micelle: A Molecular Dynamics Study |
Journal of Biomolecular Structure and Dynamics, 2000, 18:461-476. |
| Troy Wymore, Xinfeng Gao and Tuck Wong |
Molecular Dynamics Simulation of the Structure and Dynamics of a Dodecylphosphocholine Micelle in Aqueous Solution |
Journal of Molecular Structure, 1999, 485-6:195-210. |
| Troy Wymore and Tuck Wong |
Molecular Dynamics Study of Substance P Peptides Partitioned in an SDS Micelle |
Biophysical Journal, 1999, 76:1213-1227. |
| Troy Wymore and Tuck Wong |
Molecular Dynamics Study of Substance P Peptides in a Biphasic Membrane Mimetic |
Biophysical Journal, 1999, 76:1199-1212. |
