List of works - Alberico Borges Ferreira Da Silva

4-hydroxy-2,5-dimethylphenyl-benzophenone: conformational stability, FT-IR and Raman investigation.

scientific article

A chemometric study of megazol derivatives with activity against Trypanosoma equiperdum

scientific article published on 01 December 2006

A chemometric study of the 5-HT(1A) receptor affinities presented by arylpiperazine compounds

scientific article published on 24 April 2007

A combined study using ligand-based design, synthesis, and pharmacological evaluation of analogues of the acetaminophen ortho-regioisomer with potent analgesic activity

scientific article published on 27 April 2012

A neural networks study of quinone compounds with trypanocidal activity.

scientific article published on 16 July 2008

A polynomial version of the generator coordinate Dirac-Fock method

scientific article published on 01 November 2004

A quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activity

article

A study on the antipicornavirus activity of flavonoid compounds (flavones) by using quantum chemical and chemometric methods.

scientific article

A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds

scientific article published on 03 May 2005

Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.

scientific article published on 29 September 2015

Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

scientific article published on 01 December 2006

An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

scientific article published on 01 July 2005

Artificial neural networks and the study of the psychoactivity of cannabinoid compounds.

scientific article published in June 2010

Design and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical Scavenger

scientific article published on 01 March 2013

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity.

scientific article published on 5 March 2009

Evaluation and theoretical study on the anti-inflammatory mechanism of 1-nitro-2-phenylethane.

scientific article

Excitation energies from ground-state density-functionals by means of generator coordinates.

scientific article published on 26 March 2009

Generator coordinate method in time-dependent density-functional theory: memory made simple.

scientific article published in September 2007

Identification of electronic and structural descriptors of adenosine analogues related to inhibition of leishmanial glyceraldehyde-3-phosphate dehydrogenase.

scientific article published on 29 April 2013

Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach

scientific article published on 03 March 2016

Machine learning techniques and drug design.

scientific article published on January 2012

Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches

scientific article (publication date: 2014)

Molecular properties of the PCO radical: heat of formation and the isomerization pathways.

scientific article published on 8 February 2014

Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay

scientific article

Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery ⬇️

scientific article published on October 7, 2010

Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition

scientific article published on 21 February 2014

Quantum chemical DFT study of the interaction between molecular oxygen and FeN₄ complexes, and effect of the macrocyclic ligand

scientific article published on 25 February 2014

Rate coefficient for the reaction SiO + Si2O2 at T = 10-1000 K

scientific article published on 01 December 2006

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements

scientific article published on 15 July 2014

Research Article: Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands

scientific article published on 02 September 2010

The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties

scientific article published on 19 July 2014

The basic antioxidant structure for flavonoid derivatives

scientific article published on 14 April 2012

The isomerization of dinitrogen tetroxide: O2N-NO2 --> ONO-NO2

scientific article published on 28 March 2007

The nuclear electric quadrupole moment of antimony from the molecular method

scientific article published on 01 August 2006

The use of classification methods for modeling the antioxidant activity of flavonoid compounds

scientific article published on 07 April 2006

Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands.

scientific article published in July 2008

Understanding the cytotoxicity or cytoprotective effects of biological and synthetic quinone derivatives by redox mechanism

scientific article published on 11 December 2014

Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants.

scientific article

Universal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculations

scientific article published on 01 January 1993

List of works by Alberico Borges Ferreira Da Silva

4-hydroxy-2,5-dimethylphenyl-benzophenone: conformational stability, FT-IR and Raman investigation.

A chemometric study of megazol derivatives with activity against Trypanosoma equiperdum

A chemometric study of the 5-HT(1A) receptor affinities presented by arylpiperazine compounds

A combined study using ligand-based design, synthesis, and pharmacological evaluation of analogues of the acetaminophen ortho-regioisomer with potent analgesic activity

A neural networks study of quinone compounds with trypanocidal activity.

A polynomial version of the generator coordinate Dirac-Fock method

A quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activity

A study on the antipicornavirus activity of flavonoid compounds (flavones) by using quantum chemical and chemometric methods.

A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds

Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.

Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

Artificial neural networks and the study of the psychoactivity of cannabinoid compounds.

Design and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical Scavenger

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity.

Evaluation and theoretical study on the anti-inflammatory mechanism of 1-nitro-2-phenylethane.

Excitation energies from ground-state density-functionals by means of generator coordinates.

Generator coordinate method in time-dependent density-functional theory: memory made simple.

Identification of electronic and structural descriptors of adenosine analogues related to inhibition of leishmanial glyceraldehyde-3-phosphate dehydrogenase.

Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach

Machine learning techniques and drug design.

Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches

Molecular properties of the PCO radical: heat of formation and the isomerization pathways.

Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay

Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery ⬇️

Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition

Quantum chemical DFT study of the interaction between molecular oxygen and FeN₄ complexes, and effect of the macrocyclic ligand

Rate coefficient for the reaction SiO + Si2O2 at T = 10-1000 K

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements

Research Article: Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands

The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties

The basic antioxidant structure for flavonoid derivatives

The isomerization of dinitrogen tetroxide: O2N-NO2 --> ONO-NO2

The nuclear electric quadrupole moment of antimony from the molecular method

The use of classification methods for modeling the antioxidant activity of flavonoid compounds

Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands.

Understanding the cytotoxicity or cytoprotective effects of biological and synthetic quinone derivatives by redox mechanism

Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants.

Universal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculations