CeNS Center for NanoScience LMU Ludwig-Maximilians-Universität München
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Dr. rer. nat. Martin Hoefling


Curriculum Vitae

since 2011

Postdoctoral research in the group of Prof. Dr. Helmut GrubmüllerMPI for Biophysical Chemistry, Göttingen 

2007 - 2011

Doctoral Thesis at the LMU München


Supervisors: Dr. Kay E. Gottschalk (now: E.-M.-A. Universität Greifswald) and Prof. Dr. Helmut GrubmüllerMPI for Biophysical Chemistry, Göttingen


Advanced practical: Chair of Applied Physics, LMU, mentor: Ferdinand Kuehner. Title: Force spectroscopy with gold coated small cantilevers

2001 - 2007

Diploma studies in Physics at the LMU

2006 - 2007

Diploma thesis in the group of Kay E. Gottschalk, Chair of Applied Physics, LMU, Title: Computer Based Analysis of Proteins and their Interactions with the Solvent and Surfaces


Simulations and Experiments: How close can we get?
Dissertation, LMU Munich (2011) Thesis..


R. Pool, J. Heringa, M. Hoefling, R. Schulz, J. C. Smith, K. Anton Feenstra:
"Enabling grand-canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module"
Journal of Computational Chemistry Volume 33, Issue 12, pages 1207–1214, 5 May 2012

M. Hoefling, Susanna Monti, Stefano Corni, K. E. Gottschalk:
“Interaction of β-Sheet Folds with a Gold Surface”
PLoS ONE 6(6): e20925. doi:10.1371/journal.pone.0020925 (2011)

M. Hoefling, N. Lima, D. Haenni, C. A. M. Seidel, B. Schuler, H. Grubmüller:
"Structural Heterogeneity and Quantitative FRET Efficiency Distributions of Polyprolines through a Hybrid Atomistic Simulation and Monte Carlo Approach"
PLoS ONE 6(5): e19791. doi:10.1371/journal.pone.0019791 (2011)

O. Cohavi, S. Corni, F. D. Rienzo, R. D. Felice, K. E. Gottschalk, M. Hoefling, D. Kokh, E. Molinari, G. Schreiber, A. Vaskevich, R. C. Wade:
"Protein-surface interactions: challenging experiments and computations"
J Mol Recognit, Vol. 23, pp. 259-262 (2010)

M. Hoefling and K. E. Gottschalk:
"Barnase-Barstar: From first encounter to final complex"
Journal of Structural Biology, Volume 171, Issue 1, p. 52-63 (2010)

M. Hoefling, F. Iori, S. Corni, and K. E. Gottschalk:

"Interaction of amino acids with the Au(111) surface: adsorption free energies from molecular dynamics simulations"
Langmuir, Vol. 26, pp. 8347-8351(2010)

M. Hoefling, F. Iori, S. Corni, and K. E. Gottschalk:
"The conformations of amino acids on a gold (111) surface"
Chemphyschem, Vol. 11, pp. 1763-1767 (2010)

D. B. Kokh, S. Corni, P. J. Winn, M. Hoefling, K. E. Gottschalk and R. C. Wade:
"ProMetCS: An Atomistic Force Field for Modeling Protein - Metal Surface Interactions in a Continuum Aqueous Solvent"
Journal of Chemical Theory and Computation, Vol. 6, pp. 1753-1768 (2010)

M. G. Wolf, M. Hoefling, C. Aponte-Santamaría, H. Grubmüller and G. Groenhof:
"g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation"
J Comput Chem, Vol. 31, pp. 2169-2174 (2010)

M. Hoefling, H. Kessler, K. E. Gottschalk:
"The transmembrane structure of integrin alphaIIbbeta3: significance for signal transduction"
Angew Chem Int Ed Engl, Vol. 48, pp. 6590-6593 (2009)