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  • FCT project PTDC/QUI-OUT/29441/2017 "Modelling pH effects on beta-lactoglobulin using state-of-the-art constant-pH molecular dynamics". Coordination.



  • FCT project PTDC/QEQ-COM/1623/2012, "Increasing the realism of membrane modelling in constant-pH molecular dynamics methods: inclusion of electrochemical gradients and lipid titration".Coordination.
  • COST Action CM1102, "Multivalent Glycosystems for Nanoscience - MultiGlycoNano". Member of the Management Committee.
  • FCT project PTDC/QUI-BIQ/113446/2009, "Proton transfer and proton pumping in haem-copper oxidases. Methodological developments and their application to unravel the molecular mechanism". Collaboration.

  • FCT project PTDC/QUI-QUI/100416/2008, "Understanding structure-activity relationships in peptide dendrimers using a molecular modelling approach". Coordination.
  • FCT project PTDC/BIA-PRO/104378/2008, "Including protonation effects in the simulation of peptides and proteins in membrane environments". Coordination.
  • FCT project PTDC/QUI-BIQ/105238/2008, "Study of pH-dependent protein misfolding using state-of-the-art molecular modeling methods". Coordination.
  • FCT project POCTI/BME/45810/2002, "Increasing realism in protein modelling: including pH and redox effects into molecular dynamics simulations". Coordination.
  • FCT project POCTI/BME/32789/99, "Molecular modelling of key redox proteins in bacterium metabolism: methodology and applications". Collaboration.
  • FCT project POCTI/BME/36560/99, "Novel respiratory complexes: molecular basis for energy transduction". Collaboration.


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