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2010 – 2019
- 2013
[j10]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, Carlos Alemán:
Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing. J. Comput. Aided Mol. Des. 27(1): 31-43 (2013)- 2011
- [j9]David Curcó, David Zanuy, Ruth Nussinov, Carlos Alemán:
A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides. J. Comput. Chem. 32(4): 607-619 (2011) - 2010
- [j8]Julien Preat, Francisco Rodríguez-Ropero, Juan Torras, Oscar Bertran, David Zanuy, Carlos Alemán:
Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s. J. Comput. Chem. 31(8): 1741-1751 (2010) - [j7]Guillem Revilla-López, Ana I. Jiménez, Carlos Cativiela, Ruth Nussinov, Carlos Alemán, David Zanuy:
Conformational Profile of a Proline-Arginine Hybrid. J. Chem. Inf. Model. 50(10): 1781-1789 (2010)
2000 – 2009
- 2009
- [j6]David Zanuy, Gema Ballano, Ana I. Jiménez, Jordi Casanovas, Nurit Haspel, Carlos Cativiela, David Curcó, Ruth Nussinov, Carlos Alemán:
Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale. J. Chem. Inf. Model. 49(7): 1623-1629 (2009) - 2008
- [j5]Francisco Rodríguez-Ropero, David Zanuy, Carlos Alemán:
Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle. J. Comput. Chem. 29(8): 1233-1241 (2008) - [j4]Francisco Rodríguez-Ropero, David Zanuy, Jordi Casanovas, Ruth Nussinov, Carlos Alemán:
Application of 1-Aminocyclohexane Carboxylic Acid to Protein Nanostructure Computer Design. J. Chem. Inf. Model. 48(2): 333-343 (2008) - 2003
- [j3]David Zanuy, Carlos Alemán, Manuel Laso, Sebastián Muñoz-Guerra:
Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. J. Comput. Chem. 24(6): 770-778 (2003) - [j2]David Curcó, David Zanuy, Carlos Alemán:
EVEBAT: A fast strategy for the examination of the empty space in polymer matrices. J. Comput. Chem. 24(10): 1208-1214 (2003) - 2002
- [j1]Salvador León, David Zanuy, Carlos Alemán:
Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study. J. Comput. Chem. 23(7): 685-696 (2002)
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