Most cited publications

Over 1000 citations

Nucleic acids simulation

  • Pérez et al, (2007) Biophys.J., 92, 3817. Refinement of the AMBER force-field for nucleic acids: Improving the description of a/g conformers”.


  • Tomato Genome Consortium including M.O. (2012). Nature, 485, 635.
  • Puente et al., (2011) Nature475, 101. “Whole genome sequencing identifies recurrent mutations in Chronic Lymphocytic Leukaemia”.

Over 500 citations

Solvent effects

  • Luque & Orozco (2000), Chem. Rev., 100, 4187. “Theoretical methods for the description of the solvent effect in biomolecular systems”.


  • Quesada et al., (2012) Nature Genetics, 44, 47. “Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia”.

Over 300 citations


  • Ferrer et al.,  (2005) Bioinformatics, 21, 3176. “PMUT: a web-based tool for the annotation of pathological mutations on proteins”.
  • Kullis, et al. (2012) Nature Genetics44, 1236. “Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leulemia”.
  • Puente et al. (2015) Nature, 526, 519. “Non-coding recurrent mutations in chronic lymphocytic leukaemia”.

Solvent effects

  • Luque et al., (2001),  Theor.Chem.Acc.,1, 343. “Electrostatic interaction of a solute with a continuum. A direct utilization of ab initio potentials for the prediction of solvent effects”.
  • Colominas et al., (1996), J.Am.Chem.Soc., 118, 6811. “Tautomeris and protonation of guanine and cytosine. Implication in the formation of hydrogen-bonded complexes”.

Over 200 citations

Solvent effects

  • Colominas et al., (1996), J.Am.Chem.Soc., 118, 6811. “Tautomeris and protonation of guanine and cytosine. Implication in the formation of hydrogen-bonded complexes”.

Molecular interactions

  • Cubero et al. (1998). Proc. Natl. Acad. Sci. USA., 95, 5976. “Is polarization important in catión-PI interactions?.
  • Cubero et al., (1999), J.Phys.Chem.A., 103, 6394. “Hydrogen bond versus anti-hydrogen bond: A comparative analysis based on the electron topology”.
  • Sponer et al., (2006),  Chem.Eur.J.,12, 2853 “Nature of base stacking: reference chemical stacking energies in ten unique B-DNA base pair steps”.

Molecular Modeling/Drug Design

  • Cozzini et al., (2008), J.Med. Chem., 51, 6237.“Target flexibility: an emerging consideration in drug discovery and design”.


  • Ferrer-Costa et al. (2002) J.Mol.Biol., 315, 771. “Characterization of disease-associated single amino acid polymorphisms in terms of sequence and structure properties”.

Nucleic Acids Simulations

  • Lavery et al. (2009). Nucleic Acids Res., 38, 299. “A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA”.
  • Banás et al. (2010). J.Chem.Theor.Comput., 5, 3836. “Performance of molecular mechanics force fields for RNA simulations, stability of UUCG and CNRA hairpins”.
  • Pérez et al. (2007). J.Am.Chem.Soc., 129, 14739. “Dynamics of B-DNA on the microsecond time scale”.