Publications by authors named "Martin Hoefling"

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Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof

J Comput Chem· August 2016

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AMBER-DYES: Characterization of Charge Fluctuations and Force Field Parameterization of Fluorescent Dyes for Molecular Dynamics Simulations.
Timo Graen, Martin Hoefling, Helmut Grubmüller

J Chem Theory Comput· December 2014

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Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.
René Pool, Jaap Heringa, Martin Hoefling, Roland Schulz, Jeremy C Smith

J Comput Chem· May 2012

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Interaction of β-sheet folds with a gold surface.
Martin Hoefling, Susanna Monti, Stefano Corni, Kay Eberhard Gottschalk

PLoS One· October 2011

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Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach.
Martin Hoefling, Nicola Lima, Dominik Haenni, Claus A M Seidel, Benjamin Schuler

PLoS One· September 2011

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g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
Maarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof

J Comput Chem· August 2010

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Barnase-Barstar: from first encounter to final complex.
Martin Hoefling, Kay E Gottschalk

J Struct Biol· July 2010

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Protein-surface interactions: challenging experiments and computations.
Ori Cohavi, Stefano Corni, Francesca De Rienzo, Rosa Di Felice, Kay E Gottschalk, Martin Hoefling

J Mol Recognit· June 2010

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The conformations of amino acids on a gold(111) surface.
Martin Hoefling, Francesco Iori, Stefano Corni, Kay-Eberhard Gottschalk

Chemphyschem· June 2010

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Interaction of amino acids with the Au(111) surface: adsorption free energies from molecular dynamics simulations.
Martin Hoefling, Francesco Iori, Stefano Corni, Kay-Eberhard Gottschalk

Langmuir· June 2010

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ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent.
Daria B Kokh, Stefano Corni, Peter J Winn, Martin Hoefling, Kay E Gottschalk

J Chem Theory Comput· May 2010

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The transmembrane structure of integrin alphaIIbbeta3: significance for signal transduction.
Martin Hoefling, Horst Kessler, Kay-Eberhard Gottschalk

Angew Chem Int Ed Engl· October 2009

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