List of works - Elixabete Rezabal Astigarraga

A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH

scientific article published on 02 August 2011

A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions.

scientific article published on 7 February 2006

A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities

scientific article published on 12 June 2007

Ab Initio Study of Microsolvated Al3+−Aromatic Amino Acid Complexes

scientific article published on 15 July 2010

Aluminium in biological environments: a computational approach.

scientific article published on 28 March 2014

Complexation of AlIIIby Aromatic Amino Acids in the Gas Phase

scientific article published in August 2007

DNA aptamers are functional molecular recognition sensors in protic ionic liquids

scientific article published on 25 July 2014

Estimating π binding energy of N-heterocyclic carbenes: the role of polarization

scientific article published on 01 March 2015

First principle approach to solvation by methylimidazolium-based ionic liquids.

scientific article published on 3 January 2013

Ionic liquids as solvents of polar and non-polar solutes: affinity and coordination

scientific article published on 01 June 2015

Ligand effects on the [Cu(PhO)(PhOH)]+ redox active complex.

scientific article published on September 2010

Mapping the affinity of aluminum(iii) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes

scientific article published on 01 October 2014

Protein side chains facilitate Mg/Al exchange in model protein binding sites

scientific article published on 01 October 2007

Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer

scientific article published on 01 May 2008

Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations

scientific article published on 01 January 2013

The long-term environmental behaviour of strontium and barium released from former mine workings in the granites of the Sunart region of Scotland, UK.

scientific article published in February 2005

Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms.

scientific article

List of works by Elixabete Rezabal Astigarraga