Mauricio Esguerra Neira

Mauricio Esguerra Neira

Assistant professor


Publication year:
  1. 2019
  2. Published

    Free energy calculations of RNA interactions

    Lind, C., Esguerra Neira, Mauricio, Jespers, W., Satpati, P., Gutierrez-de-Teran, H. & Aqvist, J., 1 Jun 2019, In : Methods. 162, p. 85-95

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    QligFEP: an automated workflow for small molecule free energy calculations in Q

    Jespers, W., Esguerra Neira, Mauricio, Aqvist, J. & Gutierrez-de-Teran, H., 2 Apr 2019, In : Journal of Cheminformatics. 11, 16 p., 26.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 2018
  5. Published

    Computer simulations of the catalytic mechanism of wild-type and mutant beta-phosphoglucomutase

    Barrozo, A., Liao, Q., Esguerra Neira, Mauricio, Marloie, G., Florian, J., Williams, N. H. & Kamerlin, S. C. L., 28 Mar 2018, In : Organic & Biomolecular Chemistry. 16, 12, p. 2060-2073 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

    Bauer, P., Barrozo, A., Purg, M., Amrein, B. A., Esguerra Neira, Mauricio, Wilson, P. B., Major, D. T., Aqvist, J. & Kamerlin, S. C. L., 2018, In : SoftwareX. 7, p. 388-395 8 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. 2017
  8. Published

    A close-up view of codon selection in eukaryotic initiation

    Lind, C., Esguerra Neira, Mauricio & Aqvist, J., 2017, In : RNA biology. 14, 7, p. 815-819 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. 2016
  10. Published

    GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors

    Esguerra Neira, Mauricio, Siretskiy, A., Bello, X., Sallander, J. & Gutierrez-de-Teran, H., 8 Jul 2016, In : Nucleic Acids Research. 44, W1, p. W455-W462 8 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  11. 2014
  12. Published

    Triple helical DNA in a duplex context and base pair opening

    Esguerra Neira, Mauricio, Nilsson, L. & Villa, A., 13 Oct 2014, In : Nucleic Acids Research. 42, 18, p. 11329-11338 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

ID: 232692904