Publikationen von A. Villa
Alle Typen
Zeitschriftenartikel (7)
1.
Zeitschriftenartikel
20 (7), S. 451 - 465 (2011)
A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models. Macromolecular Theory and Simulations 2.
Zeitschriftenartikel
114 (34), S. 11093 - 11101 (2010)
Driving Forces for Adsorption of Amphiphilic Peptides to the Air-Water Interface. Journal of Physical Chemistry B 3.
Zeitschriftenartikel
6 (8), S. 2434 - 2444 (2010)
Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation 4.
Zeitschriftenartikel
76 (1), S. 138 - 150 (2009)
Inclusion of ionization states of ligands in affinity calculations. Proteins-Structure Function and Bioinformatics 5.
Zeitschriftenartikel
113 (20), S. 7270 - 7281 (2009)
Dynamics and Structure of Ln(III)-Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials. Journal of Physical Chemistry B 6.
Zeitschriftenartikel
11 (12), S. 2077 - 2086 (2009)
Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation. Physical Chemistry Chemical Physics 7.
Zeitschriftenartikel
11 (12), S. 2068 - 2076 (2009)
Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model. Physical Chemistry Chemical Physics