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Lista de obras de Russo Nino

A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase

article

Antioxidant Properties of the Vam3 Derivative of Resveratrol

artículo científico publicado en 2018

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

scientific article published on 08 December 2020

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

artículo científico publicado en 2018

Computational Investigation on the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc (II) Complexes

artículo científico publicado en 2018

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

Enzymatic Flexibility and Reaction Rate: A QM/MM Study of HIV-1 Protease

article

Erratum to: A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase

article

Establishing the Catalytic Mechanism of Human Pancreatic α-Amylase with QM/MM Methods

artículo científico publicado en 2015

Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory

artículo científico publicado en 2020

Molecular Dynamics Analysis of FAAH Complexed with Anandamide

artículo científico publicado en 2015

New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models

scholarly article by Gaspar P. Pinto published in September 2015

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

artículo científico publicado en 2020

Os(II) Oligothienyl Complexes as a Hypoxia-Active Photosensitizer Class for Photodynamic Therapy

artículo científico publicado en 2020

Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights

artículo científico publicado en 2019

Photophysical Properties of Nitrated and Halogenated Phosphorus Tritolylcorrole Complexes: Insights from Theory

artículo científico publicado en 2018

Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy

artículo científico publicado en 2021

Rational Design of Modified Oxobacteriochlorins as Potential Photodynamic Therapy Photosensitizers

scientific article published on 24 April 2019

Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3 )n = 1-10 ]+ clusters from DFT and MP2 investigations

artículo científico publicado en 2019

The Antioxidant Capability of Higenamine: Insights from Theory

artículo científico publicado en 2020

The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation

artículo científico publicado en 2020

The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study

artículo científico publicado en 2019

The catalytic mechanism of protein phosphatase 5 established by DFT calculations

artículo científico publicado en 2013

The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics

scientific article published on 01 March 2019

Theoretical exploration of the photophysical properties of two-component RuII-porphyrin dyes as promising assemblies for a combined antitumor effect

artículo científico publicado en 2020

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