Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study. - Salvador León; David Zanuy; Carlos Alemán (J. Comput. Chem., 2002)

EVEBAT: A fast strategy for the examination of the empty space in polymer matrices. - David Curcó; David Zanuy; Carlos Alemán (J. Comput. Chem., 2003)

Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. - David Zanuy; Carlos Alemán; Manuel Laso; Sebastián Muñoz-Guerra (J. Comput. Chem., 2003)

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)

Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale. - David Zanuy; Gema Ballano; Ana I. Jiménez; Jordi Casanovas; Nurit Haspel; Carlos Cativiela; David Curcó; Ruth Nussinov; Carlos Alemán (J. Chem. Inf. Model., 2009)

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)

Conformational Profile of a Proline-Arginine Hybrid. - Guillem Revilla-López; Ana I. Jiménez; Carlos Cativiela; Ruth Nussinov; Carlos Alemán; David Zanuy (J. Chem. Inf. Model., 2010)

A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides. - David Curcó; David Zanuy; Ruth Nussinov; Carlos Alemán (J. Comput. Chem., 2011)

Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing. - David Zanuy; Francisco J. Sayago; Guillem Revilla-López; Gema Ballano; Lilach Agemy; Venkata Ramana Kotamraju; Ana I. Jiménez; Carlos Cativiela; Ruth Nussinov; April M. Sawvel; Galen Stucky; Erkki Ruoslahti; et al. (J. Comput. Aided Mol. Des., 2013)