Tim Carpenter

Contact information

Lawrence Livermore National Laboratory
7000 East Avenue, L-367
Livermore, CA 94550
email: carpenter36@llnl.gov
phone: 925 422 2900


Post-doctoral researcher, LLNL (2009-2012)

Ph.D., Biochemistry, University of Oxford (2008)

Masters Biochemistry, University of Oxford (2005)


I am interested in the modeling and biomolecular simulation of integral membrane proteins. Recently I have been focusing on critical neuroreceptors, such as the GABAA receptor and the NMDA and AMPA glutamate receptors.  More info.  Additionally, I have been working on small molecule permeability studies, to investigate the energetic barriers associated with crossing a lipid bilayer, and the dynamics and structures of lipid bilayers. 


Carpenter T.S., Parkin J., and Khalid S. The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric Profile. J. Phys. Chem. Lett., 2016. 7(17): p. 3446-3451

Witzke S., Petersen M., Carpenter T.S.§, Khalid S§. Molecular dynamics simulations reveal the conformational flexibility of Lipid II and its loose association with the defensin plectasin in the Staphylococcus aureus membrane. Biochemistry, 2016. 55(23): p. 3303-3314

Carpenter T.S., Lightstone F.C. An Electrostatic Funnel in the GABA-Binding Pathway. PLOS Comput Biol, 2016. 12(4): p. e1004831.

Zhao C., Hwang S.H., Buchholz B.A., Carpenter T.S., Lightstone F.C., Yang J., Hammock B.D., Casida J.E. GABAA receptor target of tetramethylenedisulfotetramine. Proc Natl Acad Sci USA, 2014. 111(23): p. 8607-8612.

Carpenter T.S., Lau E.Y., Lightstone F.C. Identification of a Possible Secondary Picrotoxin-Binding Site on the GABAA Receptor. Chem Res Toxicol, 2013. 26(10): p. 1444-54

Carson B., Harmon B., Kozina C., Maar D., Carpenter T.S., Branda C., Negrete O.A. Identification of critical amino acids within the nucleoprotein of Tacaribe virus important for anti-interferon activity. J Biol Chem, 2013. 288(12): p. 8702-11.

Carpenter T.S., Lau E.Y., Lightstone F.C. A role for loop F in modulating GABA binding affinity in the GABA(A) receptor. J Mol Biol, 2012. 422(2): p. 310-23.

Rouse, S.L., Carpenter T., Sansom M.S.P. Coarse-grained Molecular Dynamics Simulations of Membrane Proteins. In Molecular Simulations and Biomembranes: From Biophysics to Function. 2010

Cover image. The Biochemist Magazine. Biochemical Society. 2009. 31(5).

Rouse, S.L.*, Carpenter T.*, Stansfeld, P.J., Sansom M.S.P. Simulations of the BM2 proton channel transmembrane domain from influenza virus B. Biochemistry, 2009. 48(42): p. 9949-51.

Klingelhoefer J.*, Carpenter T.*, Sansom M.S.P. Peptide Nanopores and Lipid Bilayers: Interactions by Coarse-Grained Molecular Dynamics Simulations. Biophys J, 2009. 96(9): p. 3519-28.

Carpenter T., Bond P.J., Khalid S., Sansom M.S.P. Self-Assembly of a Simple Membrane Protein: Coarse Grain Molecular Dynamics Simulations of the Influenza M2 Channel. Biophys J, 2008. 95(8): p. 3790-801.

Khalid S., Bond P.J., Carpenter T., Sansom M.S.P. OmpA: Gating and dynamics via molecular dynamics simulations. Biochim Biophys Acta, 2008. 1778(9): p. 1871-80.

Carpenter T., Khalid S., Sansom M.S.P. A multidomain outer membrane protein from Pasteurella multocida: modelling and simulation studies of PmOmpA. Biochim Biophys Acta. 2007 Nov; 1768(11):2831-40.