Force-field parametrization of retro-inverso modified residues: Development of torsional and electrostatic parameters. - David Curcó; Francisco Rodríguez-Ropero; Carlos Alemán (J. Comput. Aided Mol. Des., 2006)

Ab initio calculations on pi-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters. - Francisco Rodríguez-Ropero; Jordi Casanovas; Carlos Alemán (J. Comput. Chem., 2008)

Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle. - Francisco Rodríguez-Ropero; David Zanuy; Carlos Alemán (J. Comput. Chem., 2008)

Application of 1-Aminocyclohexane Carboxylic Acid to Protein Nanostructure Computer Design. - Francisco Rodríguez-Ropero; David Zanuy; Jordi Casanovas; Ruth Nussinov; Carlos Alemán (J. Chem. Inf. Model., 2008)

Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s. - Julien Preat; Francisco Rodríguez-Ropero; Juan Torras; Oscar Bertran; David Zanuy; Carlos Alemán (J. Comput. Chem., 2010)

Effect of Na+, Mg2+, and Zn2+ chlorides on the structural and thermodynamic properties of water/n-heptane interfaces. - Francisco Rodríguez-Ropero; Marco Fioroni (J. Comput. Chem., 2011)