| Publications: | | "Spectroscopic polarizable force field for amide groups in polypeptides"
Bernhard Schropp, Christoph Wichmann, and Paul Tavan
J. Phys. Chem. B 114, 6740-6750 (2010). details
"Flexibility does not change the polarizability of water molecules in the liquid"
Bernhard Schropp and Paul Tavan
J. Phys. Chem. B 114, 2051-2057 (2010) details
"A Polarizable Force Field for Computing the Infrared Spectra of the Polypeptide Backbone"
Verena Schultheis, Rudolf Reichold, Bernhard Schropp, and Paul Tavan
J. Phys. Chem. B 112, 12217-12230 (2008) details
"The polarizability of point-polarizable water models: DFT/MM results"
Bernhard Schropp and Paul Tavan
J. Phys. Chem. B 112, 6233-6240 (2008) details
"Structural Instability of the Prion Protein upon M205S/R Mutations Revealed by Molecular Dynamics Simulations"
Thomas Hirschberger, Martina Stork, Bernhard Schropp, Konstanze F. Winklhofer, Jörg Tatzelt, and Paul Tavan
Biophys. J. 90, 3908-3918 (2006). details
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