Centers and Institutes   |
Protein dynamics and conformation as dictated by small molecule interactions under physiological and high vacuum-low temperatures. Research tools include molecular dynamics simulations (NAMD), computational docking, and ab initio calculations on high performance LLNL linux clusters. Previous work included computational studies of food mutagens (heterocyclic amines) interacting with Cytochrome P450 1A2 and the Estrogen hormone receptor with respect to prostate and breast cancer. Brian is a member of the UC Davis Cancer Center.
Beck, D. A. C., B. J. Bennion, D. O. V. Alonso, and V. Daggett, "Simulations of Macromolecules in Protective and Denaturing Osmolytes: Properties of Mixed Solvent Systems and their Effects on Water and Protein Structure and Dynamics," Osmosensing and Osmosignaling Methods In Enzymology 428: 373-397 (2007).
Rutherford, K., B. J. Bennion, W. W. Parson, and V. Daggett, "The 108M Polymorph of Human Catechol O-methyltransferase Is Prone to Deformation at Physiological Temperatures," Biochemistry 45 (7): 2178-2188 (2006).
Bennion, B. J., M. Cosman, F. C. Lightstone, M. G. Knize, J. L. Montgomery, L. M. Bennett, J. S. Felton, and K. S. Kulp, "PhIP Carcinogenicity in Breast Cancer: Computational and Experimental Evidence for Competitive Interactions with Human Estrogen Receptor," Chemical Research in Toxicology 18 (10): 1528-1536 (2005).
Bennion, B. J., M. Demarco, and V. Daggett, "Preventing Misfolding of the Prion Protein by Trimethylamine N-oxide," Biochemistry 43, 12955-12963 (2004).
Bennion, B. J., and V. Daggett, "Counteraction of Urea-Induced Protein Denaturation by TMAO: A Chemical Chaperone at Atomic Resolution," PNAS 101, 6433-6438 (2004).
Bennion, B. J., and V. Daggett, "The Molecular Basis for the Chemical Denaturation of Proteins by Urea," PNAS 100, 5142-5147 (2003).
Bennion, B. J., and V. Daggett, "Protein Conformation and Diagnostic Tests: the Prion Protein," Clin. Chem. 48, 2105-2114 (2002).
Day, R., B. J. Bennion, S. Ham, and V. Daggett, "Increasing Temperature Accelerates Protein Unfolding without Changing the Pathway of Unfolding," J. Mol. Biol. 322, 189-203 (2002).
Zou, Q., B. J. Bennion, V. Daggett, and K. P. Murphy, "The Molecular Mechanism of Stabilization by TMAO and Its Ability to Counteract the Effects of Urea," J. Am. Chem. Soc. 124, 1192-1202 (2002).
Li, B., D. O. V. Alonso, B. J. Bennion, and V. Daggett, "Hydrophobic Hydration is an Important Source of Elasticity in Elastin-Based Biopolymers," J. Am. Chem. Soc. 123, 11991-11998.
Baburina I, Li H, B. J. Bennion, Furey W, and Jordan F. (1998) Interdomain Information Transfer During Substrate Activation of Yeast Pyruvate Decarboxylase: The interaction Between Cysteine 221 and Histidine 92. Biochemistry 37, 1235-1244.