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U. Cosentino · SciRah

Researcher profile · Semantic Scholar

U. Cosentino

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U. Cosentino — researcher profile on SciRah

h-index: 16
Works: 80
Citations: 804

Most-cited papers

Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.
U. Cosentino, A. Villa, D. Pitea, G. Moro +2 more
2002Journal of the American Chemical Society91 citations
Semantic Scholar
Extension of Computational Chemistry to the Study of Lanthanide(III) Ions in Aqueous Solution: Implementation and Validation of a Continuum Solvent Approach
U. Cosentino, A. Villa, D. Pitea, G. Moro +1 more
200057 citations
Semantic Scholar
NIR emitting ytterbium chelates for colourless luminescent solar concentrators.
Alessandro Sanguineti, A. Monguzzi, G. Vaccaro, F. Meinardi +8 more
2012Physical Chemistry, Chemical Physics - PCCP48 citations
Semantic Scholar
On the structure of polaronic defects in thiophene oligomers: a combined Hartree–Fock and Density Functional Theory study
G. Moro, G. Scalmani, U. Cosentino, D. Pitea
200045 citations
Semantic Scholar
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene
M. D'Arienzo, Livio Gamba, F. Morazzoni, U. Cosentino +10 more
201736 citations Open access
Semantic Scholar
Conformational polymorphism of the PrP106-126 peptide in different environments: a molecular dynamics study.
A. Villa, A. Mark, G. Saracino, U. Cosentino +3 more
2006Journal of Physical Chemistry B36 citations
Semantic Scholar
Ab Initio Investigation of Gadolinium Complexes with Polyamino Carboxylate Ligands and Force Fields Parametrization of Metal−Ligand Interactions
U. Cosentino, G. Moro, D. Pitea, A. Villa +3 more
199830 citations
Semantic Scholar
Role of the carbon defects in the catalytic oxygen reduction by graphite nanoparticles: a spectromagnetic, electrochemical and computational integrated approach.
C. Greco, U. Cosentino, D. Pitea, G. Moro +6 more
2019Physical Chemistry, Chemical Physics - PCCP28 citations
Semantic Scholar
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single‐Center Aluminum(III) Catalyst and Quaternary Ammonium Salts
Valeria Butera, N. Russo, U. Cosentino, C. Greco +3 more
201623 citations Open access
Semantic Scholar
Tetracycline and its analogues as inhibitors of amyloid fibrils: searching for a geometrical pharmacophore by theoretical investigation of their conformational behavior in aqueous solution
U. Cosentino, M. R. Varı̀, A. Saracino, D. Pitea +2 more
2005Journal of Molecular Modeling21 citations
Semantic Scholar
Molecular electrostatic potential of substituted aromatic compounds: Factors affecting the differences between Ab Initio and semiempirical results
L. Bonati, U. Cosentino, E. Fraschini, G. Moro +1 more
199221 citations
Semantic Scholar
Computational Investigation on the Spectroscopic Properties of Thiophene Based Europium β-Diketonate Complexes.
C. Greco, G. Moro, L. Bertini, M. Biczysko +2 more
2014Journal of Chemical Theory and Computation19 citations
Semantic Scholar
The anti-fibrillogenic activity of tetracyclines on PrP 106–126: a 3D-QSAR study
U. Cosentino, D. Pitea, G. Moro, G. Saracino +6 more
2008Journal of Molecular Modeling19 citations
Semantic Scholar
Modeling and prediction of molecular properties. Theory of grid-weighted holistic invariant molecular (G-WHIM) descriptors
R. Todeschini, G. Moro, R. Boggia, L. Bonati +3 more
199719 citations
Semantic Scholar
Theoretical investigation into the influence of conformational equilibria on the water-exchange process in magnetic resonance imaging contrast agents
U. Cosentino, D. Pitea, G. Moro, V. Barone +3 more
200418 citations
Semantic Scholar
On the structure of bipolaronic defects in thiophene oligomers: a density functional study
G. Moro, G. Scalmani, U. Cosentino, D. Pitea
199817 citations
Semantic Scholar
Force Field Parametrization for Gadolinium Complexes Based on ab Initio Potential Energy Surface Calculations
A. Villa, U. Cosentino, D. Pitea, G. Moro +1 more
200016 citations
Semantic Scholar
Ab initio effective core potential calculations on lanthanide complexes: basis sets and electron correlation effects in the study of [Gd-(H2O)9]3+
U. Cosentino, G. Moro, D. Pitea, L. Calabi +1 more
199716 citations
Semantic Scholar
A selected bibliography on PCDD and PCDF formation
D. Pitea, L. Bonati, U. Cosentino, M. Lasagni +1 more
198915 citations
Semantic Scholar
Pharmacophore identification in amnesia-reversal compounds using conformational analysis and chemometric methods
U. Cosentino, G. Moro, D. Pitea, R. Todeschini +4 more
199014 citations
Semantic Scholar
Conformational behaviour determines the low-relaxivity state of a conditional MRI contrast agent.
U. Cosentino, D. Pitea, G. Moro, G. Saracino +1 more
2009Physical Chemistry, Chemical Physics - PCCP13 citations
Semantic Scholar
Critical review of the receptor model based on target transformation factor analysis
G. Moro, M. Lasagni, Nicola Rigamonti, U. Cosentino +1 more
199713 citations
Semantic Scholar
Pharmacophore identification by molecular modeling and chemometrics: The case of HMG-CoA reductase inhibitors
U. Cosentino, Giorgio Moro, D. Pitea, S. Scolastico +2 more
1992J. Comput. Aided Mol. Des.13 citations
Semantic Scholar
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo Cu CO-dehydrogenases
Anna Rovaletti, M. Bruschi, G. Moro, U. Cosentino +2 more
2019Journal of Catalysis12 citations Open access
Semantic Scholar
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory
Toshiko Miyake, M. Bruschi, U. Cosentino, Carole Baffert +5 more
2013JBIC Journal of Biological Inorganic Chemistry11 citations
Semantic Scholar
On the zwitterionic nature of strongly twisted push-pull ethylenes: the case of 3-(1,3-diisopropyl-2-imidazolidinylidene)-2,4-pentanedione monohydrate, studied by x-ray diffraction and ab initio calculations
R. Destro, U. Cosentino, G. Moro, E. Ortoleva +1 more
198911 citations
Semantic Scholar
Partition of the Reactive Species of the Suzuki–Miyaura Reaction between Aqueous and Micellar Environments
Anna Ranaudo, C. Greco, G. Moro, Anita Zucchi +3 more
2022Journal of Physical Chemistry B10 citations Open access
Semantic Scholar
A combined use of global and local approaches in 3D-QSAR
U. Cosentino, G. Moro, D. Bonalumi, L. Bonati +3 more
200010 citations
Semantic Scholar
Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams.
L. Angelucci, P. Calvisi, R. Catini, U. Cosentino +6 more
1993Journal of Medicinal Chemistry10 citations
Semantic Scholar
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase
Anna Rovaletti, M. Bruschi, G. Moro, U. Cosentino +1 more
2019Frontiers in Chemistry9 citations Open access
Semantic Scholar
The influence of the calculation method on conformational analysis of pyrrolidin-2-one derivatives
U. Cosentino, C. Scolastico, G. Moro, G. Morosi +1 more
19899 citations
Semantic Scholar
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
A. G. Ritacca, Anna Rovaletti, G. Moro, U. Cosentino +3 more
2022ACS Catalysis8 citations Open access
Semantic Scholar
Computational modelling of de novo synthesis of Dibenzofuran: oxidative pathways of Pyrene and Benzodibenzofuran
U. Cosentino, D. Pitea, G. Moro
2012Theoretical Chemistry accounts8 citations
Semantic Scholar
Computational approaches to shed light on molecular mechanisms in biological processes
G. Moro, L. Bonati, M. Bruschi, U. Cosentino +7 more
2007Theoretical Chemistry accounts8 citations Open access
Semantic Scholar
Estimation of the toxicity equivalents of PCDD/PCDF mixtures from combustion sources when specific congener information is lacking: Preliminary results
D. Pitea, M. Lasagni, L. Bonati, U. Cosentino
19938 citations
Semantic Scholar
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems
L. Vaghi, Fabio Rizzo, J. Pedrini, Anna Mauri +5 more
2022Photochemical and Photobiological Sciences7 citations Open access
Semantic Scholar
Spontaneous β‐helical fold in prion protein: The case of PrP(82‐146)
G. Saracino, A. Villa, G. Moro, U. Cosentino +1 more
2009Proteins: Structure, Function, and Bioinformatics7 citations
Semantic Scholar
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase
Anna Rovaletti, M. Bruschi, G. Moro, U. Cosentino +2 more
2019Inorganics5 citations Open access
Semantic Scholar
Synthesis and characterization of a paramagnetic sialic acid conjugate as probe for magnetic resonance applications.
D. Bini, Maria Gregori, U. Cosentino, G. Moro +4 more
2012Carbohydrate Research5 citations Open access
Semantic Scholar
Calix[4]arene‐Based Sensitizers for Host‐Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells.
Cristina Decavoli, C. Boldrini, Federica Faroldi, Laura Baldini +7 more
2022Annalen der Pharmacie4 citations Open access
Semantic Scholar
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen
R. Breglia, M. Bruschi, U. Cosentino, L. De Gioia +3 more
2016Protein engineering, design & selection : PEDS4 citations
Semantic Scholar
Guiding Competitive Binding Assays Using Protein–Protein Interaction Prediction: The HER2–Affitin Use Case
Anna Ranaudo, U. Cosentino, Claudio Greco, Giorgio Moro +2 more
2024ACS Omega3 citations
Semantic Scholar
Julius Robert Mayer and the principle of energy conservation
E. Aquilini, U. Cosentino, Nicola Pasqualetti, F. Signori
2021ChemTexts3 citations
Semantic Scholar
Dynamical Behavior and Conformational Selection Mechanism of the Intrinsically Disordered Sic1 Kinase-Inhibitor Domain
D. Sala, U. Cosentino, Anna Ranaudo, C. Greco +1 more
2020Life3 citations Open access
Semantic Scholar
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications
U. Cosentino, C. Greco, D. Pitea, S. Binetti +3 more
2017Theoretical Chemistry accounts3 citations
Semantic Scholar
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: a theoretical perspective.
C. Greco, Antonella Ciancetta, M. Bruschi, A. Kulesza +2 more
2015Chemical Communications3 citations
Semantic Scholar
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds.
L. Bertini, M. Bruschi, U. Cosentino, C. Greco +3 more
2014Methods in molecular biology3 citations
Semantic Scholar
The role of electronic and conformational properties in the activity of 5-HT3 receptor antagonists
U. Cosentino, G. Moro, M. G. Quintero, E. Giraldo +3 more
19933 citations
Semantic Scholar
Chemometric approaches in environmental problems concerning PCDD and PCDF. Data interpretation and source correlation. Mechanisms of formation and destruction in MSW combustion process
D. Pitea, L. Bonati, E. Collina, U. Cosentino +3 more
19942 citations
Semantic Scholar
Methodologies for the identification of the pharmacophore in series of bioactive compounds
U. Cosentino, G. Moro, D. Pitea, R. Todeschini
19912 citations
Semantic Scholar

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