Lista de obras - André Melo - Dominio Público Uruguay

Affinity prediction on A3 adenosine receptor antagonists: the chemometric approach

artículo científico publicado en 2011

Amino acid patterns around disulfide bonds

artículo científico publicado en 2010

Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional

artículo científico publicado en 2010

Charge distribution in Mn(salen) complexes

Computational ecotoxicology: simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions.

artículo científico publicado en 2014

Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands

artículo científico publicado en 2005

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach.

artículo científico publicado en 2014

Conformational characterization of disulfide bonds: a tool for protein classification

artículo científico publicado en 2010

Diarylferrocene tweezers for cation binding

artículo científico publicado en 2015

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues** ⬇️

artículo científico publicado en 2021

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues**

artículo científico publicado en 2021

Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study.

artículo científico publicado en 2017

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect

artículo científico publicado en 2014

Effect of Self-Association on the Phase Stability of Triphenylamine Derivatives

scientific article published on 12 June 2015

Effects of Axial Coordination on Immobilized Mn(salen) Catalysts

artículo científico publicado en 2014

Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition.

artículo científico publicado en 2008

Foreword

Isolation and structural characterization of new acylated anthocyanin-vinyl-flavanol pigments occurring in aging red wines

artículo científico publicado en 2003

Molecular Dynamics Simulations of Angiotensin II in Aqueous and Dimethyl Sulfoxide Environments

article

Molecular interactions between human cytochrome P450 1A2 and flavone derivatives

artículo científico publicado en 2006

Principal component analysis of Mn(salen) catalysts.

artículo científico publicado en 2014

Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin

artículo científico publicado en 2010

Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study

artículo científico publicado en 2016

Solvent accessible surface area-based hot-spot detection methods for protein-protein and protein-nucleic acid interfaces

artículo científico publicado en 2015

Structural divergence and adaptive evolution in mammalian cytochromes P450 2C

article

Structural insight on the activity of type 1 angiotensin II peptide antagonists using MD simulations

artículo científico publicado en 2008

The search for a new model structure of beta-factor XIIa

artículo científico publicado en 2001

Theoretical study of the amino acid interactions in the binding region of the trypsin–pancreatic trypsin inhibitor complex

Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides

article

Understanding M–ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes

artículo científico publicado en 2016

Unusual color change of vinylpyranoanthocyanin-phenolic pigments

artículo científico publicado en 2010

Unusual solvent effect on a SN2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile.

artículo científico publicado en 2006

Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids.

artículo científico publicado en 2017

Lista de obras de André Melo

Affinity prediction on A3 adenosine receptor antagonists: the chemometric approach

Amino acid patterns around disulfide bonds

Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional

Charge distribution in Mn(salen) complexes

Computational ecotoxicology: simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions.

Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach.

Conformational characterization of disulfide bonds: a tool for protein classification

Diarylferrocene tweezers for cation binding

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues** ⬇️

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues**

Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study.

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect

Effect of Self-Association on the Phase Stability of Triphenylamine Derivatives

Effects of Axial Coordination on Immobilized Mn(salen) Catalysts

Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition.

Foreword

Isolation and structural characterization of new acylated anthocyanin-vinyl-flavanol pigments occurring in aging red wines

Molecular Dynamics Simulations of Angiotensin II in Aqueous and Dimethyl Sulfoxide Environments

Molecular interactions between human cytochrome P450 1A2 and flavone derivatives

Principal component analysis of Mn(salen) catalysts.

Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin

Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study

Solvent accessible surface area-based hot-spot detection methods for protein-protein and protein-nucleic acid interfaces

Structural divergence and adaptive evolution in mammalian cytochromes P450 2C

Structural insight on the activity of type 1 angiotensin II peptide antagonists using MD simulations

The search for a new model structure of beta-factor XIIa

Theoretical study of the amino acid interactions in the binding region of the trypsin–pancreatic trypsin inhibitor complex

Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides

Understanding M–ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes

Unusual color change of vinylpyranoanthocyanin-phenolic pigments

Unusual solvent effect on a SN2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile.

Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids.