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List of works by Alessandro Marrone

A multilevel theoretical study to disclose the binding mechanisms of gold(III) bipyridyl compounds as selective aquaglyceroporin inhibitors.

scientific article

Activation of carboplatin by carbonate: a theoretical investigation

scientific article published in 2012

Activity of matrix metallo proteinases (MMPs) and the tissue inhibitor of MMP (TIMP)-1 in electromagnetic field-exposed THP-1 cells.

scientific article published on June 2012

An Insight on the Gold(I) Affinity of golB Protein via Multilevel Computational Approaches

scientific article published on 29 July 2019

An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches

article

Aquaporin inhibition by gold(III) compounds: new insights

scientific article published on 7 May 2013

Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.

scientific article published on 11 March 2008

Binding of GSH conjugates to π-GST: a cross-docking approach

scientific article published on 01 October 2011

Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.

scientific article

Calcium binding promotes prion protein fragment 90-231 conformational change toward a membrane destabilizing and cytotoxic structure.

scientific article

Condensation of beta-diester titanium enolates with carbonyl substrates: a combined DFT and experimental investigation

scientific article published in November 2009

Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study

scientific article published on 12 December 2019

Double addition of phenylacetylene onto the mixed bridge phosphinito-phosphanido Pt(i) complex [(PHCy2)Pt(μ-PCy2){κ2P,O-μ-P(O)Cy2}Pt(PHCy2)](Pt-Pt)

scientific article published on 06 May 2020

Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds

scientific article published on 4 October 2008

Estimation of the PPARα agonism of fibrates by a combined MM-docking approach

scientific article published on 01 January 2013

Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex

scientific article published on 01 April 2010

Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine

scientific article published on 12 February 2020

Investigation of the HPLC response of NSAIDs by fractional experimental design and multivariate regression analysis. Response optimization and new retention parameters

scientific article published on 08 August 2009

Investigation of the molecular similarity in closely related protein systems: The PrP case study.

scientific article

Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective

scientific article published on September 7, 2011

Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study

scientific article published on 01 November 2006

Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations.

scientific article

Prediction of the PPARα agonism of fibrates by combined MM–docking approaches ⬇️

scientific article published on February 24, 2011

Reactivity of N-Heterocyclic Carbene Half-Sandwich Ru-, Os-, Rh-, and Ir-Based Complexes with Cysteine and Selenocysteine: A Computational Study

scientific article published on 11 December 2021

Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies.

scientific article

Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound

scientific article

The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study

scientific article

The Role of APOSTART in Switching between Sexuality and Apomixis in Poa pratensis

scientific article published on 14 August 2020

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