Publications of A. Villa

Engin, O.; Villa, A.; Peter, C.; Sayar, M.: A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models. Macromolecular Theory and Simulations 20 (7), pp. 451 - 465 (2011)

Engin, O.; Villa, A.; Sayar, M.; Hess, B.: Driving Forces for Adsorption of Amphiphilic Peptides to the Air-Water Interface. Journal of Physical Chemistry B 114 (34), pp. 11093 - 11101 (2010)

Villa, A.; Peter, C.; van der Vegt, N. F. A.: Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation 6 (8), pp. 2434 - 2444 (2010)

Donnini, S.; Villa, A.; Groenhof, G.; Mark, A. E.; Wierenga, R. K.; Juffer, A. H.: Inclusion of ionization states of ligands in affinity calculations. Proteins-Structure Function and Bioinformatics 76 (1), pp. 138 - 150 (2009)

Villa, A.; Hess, B.; Saint-Martin, H.: 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 113 (20), pp. 7270 - 7281 (2009)

Villa, A.; Peter, C.; van der Vegt, N. F. A.: Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation. Physical Chemistry Chemical Physics 11 (12), pp. 2077 - 2086 (2009)

Villa, A.; van der Vegt, N. F. A.; Peter, C.: Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model. Physical Chemistry Chemical Physics 11 (12), pp. 2068 - 2076 (2009)