Hoefling M - Search Results

1

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G. Wolf MG, et al. Among authors: hoefling m. J Comput Chem. 2010 Aug;31(11):2169-74. doi: 10.1002/jcc.21507. J Comput Chem. 2010. PMID: 20336801

2

Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.

Pool R, Heringa J, Hoefling M, Schulz R, Smith JC, Feenstra KA. Pool R, et al. Among authors: hoefling m. J Comput Chem. 2012 May 5;33(12):1207-14. doi: 10.1002/jcc.22947. Epub 2012 Feb 28. J Comput Chem. 2012. PMID: 22370965

3

Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach.

Hoefling M, Lima N, Haenni D, Seidel CA, Schuler B, Grubmüller H. Hoefling M, et al. PLoS One. 2011;6(5):e19791. doi: 10.1371/journal.pone.0019791. Epub 2011 May 24. PLoS One. 2011. PMID: 21629703 Free PMC article.

4

Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G. Wolf MG, et al. Among authors: hoefling m. J Comput Chem. 2016 Aug 5;37(21):2038. doi: 10.1002/jcc.24386. J Comput Chem. 2016. PMID: 27350658 No abstract available.

5

Interaction of β-sheet folds with a gold surface.

Hoefling M, Monti S, Corni S, Gottschalk KE. Hoefling M, et al. PLoS One. 2011;6(6):e20925. doi: 10.1371/journal.pone.0020925. Epub 2011 Jun 7. PLoS One. 2011. PMID: 21687744 Free PMC article.

6

AMBER-DYES: Characterization of Charge Fluctuations and Force Field Parameterization of Fluorescent Dyes for Molecular Dynamics Simulations.

Graen T, Hoefling M, Grubmüller H. Graen T, et al. Among authors: hoefling m. J Chem Theory Comput. 2014 Dec 9;10(12):5505-12. doi: 10.1021/ct500869p. Epub 2014 Dec 1. J Chem Theory Comput. 2014. PMID: 26583233

7

Interaction of amino acids with the Au(111) surface: adsorption free energies from molecular dynamics simulations.

Hoefling M, Iori F, Corni S, Gottschalk KE. Hoefling M, et al. Langmuir. 2010 Jun 1;26(11):8347-51. doi: 10.1021/la904765u. Langmuir. 2010. PMID: 20426434

8

Barnase-Barstar: from first encounter to final complex.

Hoefling M, Gottschalk KE. Hoefling M, et al. J Struct Biol. 2010 Jul;171(1):52-63. doi: 10.1016/j.jsb.2010.03.001. Epub 2010 Mar 6. J Struct Biol. 2010. PMID: 20211732

9

The conformations of amino acids on a gold(111) surface.

Hoefling M, Iori F, Corni S, Gottschalk KE. Hoefling M, et al. Chemphyschem. 2010 Jun 7;11(8):1763-7. doi: 10.1002/cphc.200900990. Chemphyschem. 2010. PMID: 20301176

10

Protein-surface interactions: challenging experiments and computations.

Cohavi O, Corni S, De Rienzo F, Di Felice R, Gottschalk KE, Hoefling M, Kokh D, Molinari E, Schreiber G, Vaskevich A, Wade RC. Cohavi O, et al. Among authors: hoefling m. J Mol Recognit. 2010 May-Jun;23(3):259-62. doi: 10.1002/jmr.993. J Mol Recognit. 2010. PMID: 19950121

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