Lista de obras -

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

artículo científico publicado en 2012

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

artículo científico publicado en 2012

A neural networks study of quinone compounds with trypanocidal activity.

artículo científico publicado en 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.

artículo científico publicado en 2004

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.

artículo científico publicado en 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

artículo científico publicado en 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.

artículo científico publicado en 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.

artículo científico publicado en 2009

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

artículo científico publicado en 2013

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

artículo científico publicado en 2009

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

artículo científico publicado en 2007

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

artículo científico publicado en 2013

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

artículo científico publicado en 2016

Machine learning techniques and drug design.

artículo científico

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

artículo científico publicado en 2014

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

artículo científico publicado en 2014

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

artículo científico publicado en 2013

Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery ⬇️

artículo científico publicado el 7 de octubre de 2010

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

artículo científico

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

artículo científico publicado en 2014

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

artículo científico publicado en 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

artículo científico publicado en 2014

The basic antioxidant structure for flavonoid derivatives

scientific article published on 14 April 2012

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

artículo científico publicado en 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.

artículo científico publicado en 2008

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

artículo científico publicado en 2014

Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants.

artículo científico publicado en 2013

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

artículo científico publicado en 1993

Lista de obras de

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