Most cited publications

Over 2000 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”.

Genomics/Bioinformatics

  • Tomato Genome Consortium including M.O. (2012). Nature, 485, 635.
  • Puente et al., (2011) Nature, 475, 101. “Whole genome sequencing identifies recurrent mutations in Chronic Lymphocytic Leukaemia”.

Over 1000 citations

Nucleic acids simulation

  • Ivani, I., Dans, P., Noy, A. et al.  (2016) Nat Methods 13, 55–58."Parmbsc1: a refined force field for DNA simulations". 

Genomics/Bioinformatics

  • Quesada et al., (2012) Nature Genetics, 44, 47. “Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia”.
  • Puente et al. (2015) Nature, 526, 519. “Non-coding recurrent mutations in chronic lymphocytic leukaemia”.

Solvent effects

  • Luque, F., López, J. & Orozco, M. (2000) Theor Chem Acc 103, 343–345. Perspective on “Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects”. 

Over 500 citations

Solvent effects

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

Genomics/Bioinformatics

  • 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 Genetics, 44, 1236. “Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leulemia”.

Molecular Dynamics

  • Hospital, A., Goñi, J. R., Orozco, M., & Gelpí, J. L. (2015) Advances and Applications in Bioinformatics and Chemistry, 8, 37–47. "Molecular dynamics simulations: advances and applications". 

Over 300 citations

Molecular Modeling/Drug Design

  • Cozzini et al., (2008), J.Med. Chem., 51, 6237.“Target flexibility: an emerging consideration in drug discovery and design”.
  • Hernández-Alvarez, María Isabel et al. (2019) Cell, 177, Issue 4, 881 - 895.e17. "Deficient Endoplasmic Reticulum-Mitochondrial Phosphatidylserine Transfer Causes Liver Disease".

Molecular interactions

  • Cubero et al. (1998). Proc. Natl. Acad. Sci. USA., 95, 5976. “Is polarization important in catión-PI interactions?.

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”.

Solvent effects

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