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List of works by Tiziana Marino

A Proposal for Mitochondrial Processing Peptidase Catalytic Mechanism

scientific article published on 9 November 2011

A comparative study of the catalytic mechanisms of the zinc and cadmium containing carbonic anhydrase

scientific article published in March 2005

A micro-environmental study of the Zn(+2)-Aβ1-16 structural properties.

scientific article published on 23 July 2013

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

scientific article published on 15 July 2010

Assessment of Approximate Density Functional Methods for the Study of the Interactions of Al(III) with Aromatic Amino Acids

scientific article published on 3 July 2007

Atomistic details of the Catalytic Mechanism of Fe(III)-Zn(II) Purple Acid Phosphatase

scientific article published in August 2010

CO2 Activation by Nb+ and NbO+ in the Gas Phase. A Case of Two-State Reactivity Process

scientific article published on 16 March 2007

Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations

scientific article published on 29 February 2016

Capsaicin, a Powerful <sup>•</sup>OH-Inactivating Ligand

scientific article published on 08 December 2020

Catalytic activity of a ζ-class zinc and cadmium containing carbonic anhydrase. Compared work mechanisms

scientific article published on 7 January 2011

Catalytic mechanism of the arylsulfatase promiscuous enzyme from Pseudomonas aeruginosa

scientific article published on 28 December 2012

Chemical insights on the antioxidant mechanisms of alkylseleno and alkyltelluro phenols: Periodic relatives behaving differently.

scientific article published on 22 March 2018

Complexation of AlIIIby Aromatic Amino Acids in the Gas Phase

scientific article published in August 2007

Computational Mechanistic Insights on the NO Oxidation Reaction Catalyzed by Non-Heme Biomimetic Cr-N-Tetramethylated Cyclam Complexes

scientific article published on 14 August 2019

Density functional computations of proton affinity and gas-phase basicity of proline.

scientific article published in March 2001

Food Antioxidants: Chemical Insights at the Molecular Level.

scientific article

Gas-phase metal ion (Li+, Na+, Cu+) affinities of glycine and alanine

scientific article published in April 2000

How Can Methanol Dehydrogenase from Methylacidiphilum fumariolicum Work with the Alien CeIII Ion in the Active Center? A Theoretical Study

scientific article

Insight into the promiscuous activity of human carbonic anhydrase against the cyanic acid substrate from a combined QM and QM/MM investigation

scientific article published on 4 July 2014

Mechanism of Thyroxine Deiodination by Naphthyl-Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation

scientific article published on 23 April 2015

Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models

scientific article published in March 2016

On the Catalytic Activity of the Engineered Coiled-Coil Heptamer Mimicking the Hydrolase Enzymes: Insights from a Computational Study

scientific article published on 26 June 2020

On the Electrochromic Properties of Borepins: A Computational Prediction

scientific article published on 20 August 2018

On the copper(II) ion coordination by prion protein HGGGW pentapeptide model.

scientific article

On the metal ion (Zn(2+), Cu(2+)) coordination with beta-amyloid peptide: DFT computational study.

scientific article published on 28 January 2010

Oxidation Mechanism of Methionine by HO• Radical: A Theoretical Study

scientific article published in May 2012

Peptide hydrolysis by the binuclear zinc enzyme aminopeptidase from Aeromonas proteolytica: a density functional theory study

scientific article

Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory

scientific article published in 2013

Potential energy surfaces for the gas-phase interaction between alpha-alanine and alkali metal Ions (Li+, Na+, K+). A density functional study

scientific article published in December 2001

Promiscuous Ability of Human Carbonic Anhydrase: QM and QM/MM Investigation of Carbon Dioxide and Carbodiimide Hydration

scientific article published on 17 March 2014

Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory

scientific article published on 21 August 2014

Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation.

scientific article

Site-selective methylation of N(beta)-nosyl hydrazides of N-nosyl protected alpha-amino acids

scientific article published in May 2010

The Antioxidant Capability of Higenamine: Insights from Theory

scientific article published on 25 April 2020

The Catalytic Mechanism of Human Transketolase

scientific article published on 11 September 2019

The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation

scientific article published on 28 June 2017

The performance of density functional based methods in the description of selected biological systems and processes

scientific article published in 2012

The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid-platinum(ii) anticancer complex

scientific article

The role of quantum chemistry in the elucidation of the elementary mechanisms of catalytic processes: from atoms, to surfaces, to enzymes

scholarly article by Monica Leopoldini et al published 6 February 2007 in Theoretical Chemistry Accounts

The working mechanism of the β-carbonic anhydrase degrading carbonyl sulphide (COSase): a theoretical study

scientific article

Theoretical Comparison between Structural and Dynamical Features of Dolastatins 11 and 12 Antineoplastic Depsipeptides

scientific article published in October 2003

Theoretical Study of Silver-Ion-Mediated Base Pairs: The Case of C–Ag–C and C–Ag–A Systems

scientific article published on 26 November 2014

Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation

scientific article published in 2019

Theoretical investigation on DNA/RNA base pairs mediated by copper, silver, and gold cations

scientific article published in 2012

What occurs by replacing Mn2+ with Co2+ in human arginase I: first-principles computational analysis.

scientific article published on 28 December 2012

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