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Contact information Lawrence Livermore National Laboratory |
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Education
Ph.D. Biochemistry, University of Calgary (2013)
B.Sc. Biochemistry, University of Calgary (2007)
Research
My research interests are in the area of molecular dynamics simulations of lipid membrane systems. I use free energy calculations and multiscale methods to characterize lipid bilayers at the molecular level. My current research areas include the investigation of drug-membrane interactions, ion channels, and protonation states of amphiphiles.
Publications
1. Drolle, E., Hammond, K., Bennett, W.F.D., Lyman, E., Karttunen, M., and Leonenko, Z. (2017) Molecular Dynamics simulations and Kelvin Probe Force microscopy to study of cholesterol-induced electrostatic nanodomains in complex lipid mixtures. Soft Matter. 13:355-362.
2. Bennett, W.F.D., Hong, C.K, Wang, Y., Tieleman, D.P. (2016) Antimicrobial Peptide Simulations and the Influence of Force Field on the Free Energy for Pore Formation in Lipid Bilayers. J. Chem. Theory Comp. 12:4524-4533.
3. Zhang, L., Bennett, W.F.D., Zheng, T., Ouyang, P., Ouyang, X., Qiu, X., Luo, A., Karttunen, M., and Chen, P. (2016) Effect of Cholesterol on Cellular Uptake of Cancer Drugs Pirarubicin and Ellipticine. J. Phys. Chem. B. 120: 3148-3156 (Co-first author).
4. Lu, S., Bennett, W.F.D., Ding, Y., Zhang, L., Fan, H.L., Zhao, D., Zheng, T., Ouyang, P., Li, J., Wu, Y., Xu, W., Chu, D., Yuan, Y., Heerklotz, H., Karttunen, M., Chen, P. (2015) Design and Characterization of a Multi-functional pH-triggered Peptide C8 for Selective Anticancer Activity. Advanced Healthcare Materials. 4:2709-2718. (Co-first author).
5. Bereau, T., Bennett, W.F.D., B, Pfaendtner, J., Deserno, M., Karttunen, M. (2015) Folding and insertion thermodynamics of the transmembrane WALP peptide. J. Chem. Phys. 143: 243127-243134.
6. Janke, J.J., Bennett, W.F.D., Tieleman, D.P. (2014) Oleic Acid Phase Behavior from Molecular Dynamics Simulations. Langmuir. 30:10661-10667.
7. Bennett, W.F.D., Tieleman, D.P. (2014) The importance of membrane defects – Lessons from simulations. Accounts of Chemical Research. 47:2244-2251.
8. Sommer, L., Janke J.J., Bennett, W.F.D., Bürck, J., Ulrich, A., Tieleman, D.P., Dames, S.A. (2014). Lipid, environment, and residue dependent differences in the peripheral membrane-association of the FATC domain of the kinase ‘target of rapamycin’ by NMR, oriented CD spectroscopy and MD simulations. Journal of Physical Chemistry B. 118:4817-4831.
9. Bennett, W.F.D., Sapay, N., Tieleman, D.P. (2014) Atomistic simulations of pore formation and closure in lipid bilayers. Biophysical Journal. 106:210-219.
10. Bennett, W.F.D., Chen, A., Donnini, S., Groenhof, G., Tieleman, D.P. (2013) Constant pH simulations with the coarse-grained MARTINI model: application to oleic acid aggregates. Canadian Journal of Chemistry. 91: 839-846.
11. Bennett, W.F.D., Tieleman, D.P. (2013) Computer simulations of membrane domains. BBA-Biomembranes. 1828: 1765-1776.
12. Vamparys, L., Gautier, R., Vanni, S., Bennett, W.F.D., Tieleman, D.P., Antonny, B., Etchebest, C., and Fuchs, P.F.J. (2013) Conical lipids in flat bilayers induce packing defects similar to that induced by positive curvature. Biophys. J. 104: 585-593.
13. de Jong, D., Singh, G., Bennett, W.F.D., Arnarez, C., Wassenaar, T., Schäfer, L., Periole, X., Tieleman, D.P, Marrink, S.J. (2013) Improved Parameters For The Martini Coarse-Grained Protein Force Field. J. Chem. Theory Comp. 9: 687-697.
14. Baoukina, S., Mendez-Villuendas, E., Bennett, W.F.D., and Tieleman, D.P. (2013) Computer simulations of phase separation in model membranes. Faraday Discussions. 161: 63-75.
15. Bennett, W. F. D., and Tieleman, D. P. (2012) Molecular simulation of rapid translocation of cholesterol, diacylglycerol and ceramide in model raft and non-raft membranes. Journal of Lipid Research. 53: 421-429.
16. Vorobyov, I., Bennett, W. F. D., Tieleman, D. P., Allen, T. W., and Noskov, S. (2012) The Role of Atomic Polarization in the Thermodynamics of Chloroform Partitioning to Lipid Bilayers. J. Chem. Theory. Comp. 8: 618-628. (Co-first author)
17. Neale, C., Bennett, W.F.D., Tieleman, D.P., Pomes, R. (2011) Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers. J. Chem. Theory. Comp. 7: 4175–4188.
18. Bennett, W.F.D., Tieleman, D.P. (2011) Water Defect and Pore Formation in Atomistic and Coarse-Grained Lipid Membranes: Pushing the Limits of Coarse Graining. J. Chem. Theory. Comp. 7: pp 2981–2988.
19. MacCallum, J.L., Bennett, W.F.D., and Tieleman, D.P. (2011) Transfer of arginine into lipid bilayers is nonadditive. Biophysical Journal. 1: 110-117.
20. Bennett, W.F.D., Tieleman D.P. (2010) Simulating membrane defects and lipid flipflop, in Multiscale Materials Modeling conference proceedings, P. Bumbsch , E. van de Giessen (eds.), Fraunhofer Verlag, Freiburg, pp. 647-656
21. Sapay, N., Bennett, W.F.D., Tieleman, D.P. (2010) Molecular simulations of lipid flip-flop in the presence of model transmembrane helices, Biochemistry 49, pp. 7665-7673
22. Bennett, W.F.D., MacCallum, J.L., Hinner, M.J., Marrink, S.J., Tieleman, D.P. (2009) A molecular view of cholesterol flip-flop and chemical potential in different membrane environments. J. Am. Chem. Soc. 131: 12714-12720.
23. Porasso, R.D., Bennett, W.F.D., Oliveira-Costa, S.D., and Lopez Cascales, J.J. (2009) Study of the benzocaine transfer from aqueous solution to the interior of a biological membrane. J. Phys. Chem. B. 113: 9988–9994.
24. Bennett, W.F.D., Tieleman, D.P. (2009) “Free energies of lipid-lipid interactions in membranes”, in Annual Reports in Computational Chemistry, vol. 5, Wheeler ed., Elsevier/ACS.
25. Sapay, N., Bennett, W.F.D., and Tieleman, D.P. (2009) Thermodynamics of flip-flop and desorption for a systematic series of phosphatidylcholine lipids. Soft Matter. 5: 3295-3302. (Co-first author)
26. Oancea, G., O'Mara, M.L., Bennett, W.F.D., Tieleman, D.P., Abele, R., and Tampe, R. (2009) Structural arrangement of the transmission interface in the antigen ABC transport complex TAP. Proc. Natl. Acad. Sci. U.S.A. 106: 5551-5556.
27. Bennett, W.F.D., MacCallum, J.L., and Tieleman, D.P. (2009) Thermodynamic analysis of the effect of cholesterol on dipalmitoylphosphatidylcholine lipid membranes. J. Am. Chem. Soc. 131: 1972-1978.
28. Procko, E., O'Mara, M.L., Bennett, W.F.D., Tieleman, D.P., and Gaudet, R. (2009) The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter. FASEB J. 23:1287-1302.
29. MacCallum, J.L., Bennett, W.F.D., and Tieleman, D.P. (2008) Distribution of amino acids in a lipid bilayer from computer simulations. Biophysical Journal 94: 3393-3404.
30. MacCallum, J.L., Bennett, W.F.D., and Tieleman, D.P. (2007) Partitioning of amino acid side chains into lipid bilayers: results from computer simulations and comparison to experiment. Journal of General Physiology 129: 371-377 (Cover story). Also featured in the Journal of Cell Biology 177.