List of works - Maria Fátima Lucas

An atomistic view on human hemoglobin carbon monoxide migration processes.

scientific article published on 21 February 2012

Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase.

scientific article published on 2 February 2015

Atomic level rendering of DNA-drug encounter.

scientific article

Atomic picture of ligand migration in toluene 4-monooxygenase

scientific article published on 13 May 2014

Bioactive fragments synergically involved in the design of new generation Pt(ii) and Pd(ii)-based anticancer compounds

scientific article published on 4 September 2008

Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.

scientific article published on March 2015

Electron transfer in proteins: theory, applications and future perspectives.

scientific article published on October 2013

Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: a novel peroxidase activation mechanism.

scientific article published in June 2013

Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy.

scientific article published on 2 April 2015

Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases

scientific article published on 4 April 2017

Mechanism of a Soluble Fumarate Reductase fromShewanella frigidimarina: A Theoretical Study

scientific article published on 01 June 2006

Modulating O2 reactivity in a fungal flavoenzyme: involvement of aryl-alcohol oxidase Phe-501 contiguous to catalytic histidine

scientific article

Neutral and acidic hydrolysis reactions of the third generation anticancer drug oxaliplatin.

scientific article published in January 2009

New Monte Carlo Based Technique To Study DNA-Ligand Interactions.

scientific article published on 11 November 2015

On the Nature of the CP Bond in Phosphaalkynes

scientific article published on 01 March 2008

On the hydrolysis mechanism of the second-generation anticancer drug carboplatin

scientific article published on 01 January 2007

Oxidoreductases on their way to industrial biotransformations

scientific article

Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle

scientific article published on 08 August 2012

Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design.

scientific article published on 10 February 2017

Single vs. multiple ligand pathways in globins: a computational view.

scientific article published on 04 February 2013

Steroid hydroxylation by basidiomycete peroxygenases: a combined experimental and computational study

scientific article published on 10 April 2015

Synthesis of 1-Naphthol by a Natural Peroxygenase Engineered by Directed Evolution

scientific article published on 17 December 2015

The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths

scientific article published on 6 October 2017

Theoretical study of the suicide inhibition mechanism of the enzyme pyruvate formate lyase by methacrylate.

scientific article published in May 2005

List of works by Maria Fátima Lucas

An atomistic view on human hemoglobin carbon monoxide migration processes.

Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase.

Atomic level rendering of DNA-drug encounter.

Atomic picture of ligand migration in toluene 4-monooxygenase

Bioactive fragments synergically involved in the design of new generation Pt(ii) and Pd(ii)-based anticancer compounds

Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.

Electron transfer in proteins: theory, applications and future perspectives.

Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: a novel peroxidase activation mechanism.

Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy.

Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases

Mechanism of a Soluble Fumarate Reductase fromShewanella frigidimarina: A Theoretical Study

Modulating O2 reactivity in a fungal flavoenzyme: involvement of aryl-alcohol oxidase Phe-501 contiguous to catalytic histidine

Neutral and acidic hydrolysis reactions of the third generation anticancer drug oxaliplatin.

New Monte Carlo Based Technique To Study DNA-Ligand Interactions.

On the Nature of the CP Bond in Phosphaalkynes

On the hydrolysis mechanism of the second-generation anticancer drug carboplatin

Oxidoreductases on their way to industrial biotransformations

Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle

Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design.

Single vs. multiple ligand pathways in globins: a computational view.

Steroid hydroxylation by basidiomycete peroxygenases: a combined experimental and computational study

Synthesis of 1-Naphthol by a Natural Peroxygenase Engineered by Directed Evolution

The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths

Theoretical study of the suicide inhibition mechanism of the enzyme pyruvate formate lyase by methacrylate.