about
Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assayMolecular features related to HIV integrase inhibition obtained from structure- and ligand-based approachesMachine learning techniques and drug design.Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition.Evaluation and theoretical study on the anti-inflammatory mechanism of 1-nitro-2-phenylethane.A study on the antipicornavirus activity of flavonoid compounds (flavones) by using quantum chemical and chemometric methods.4-hydroxy-2,5-dimethylphenyl-benzophenone: conformational stability, FT-IR and Raman investigation.Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity.Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands.A neural networks study of quinone compounds with trypanocidal activity.Molecular properties of the PCO radical: heat of formation and the isomerization pathways.Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.Identification of electronic and structural descriptors of adenosine analogues related to inhibition of leishmanial glyceraldehyde-3-phosphate dehydrogenase.Artificial neural networks and the study of the psychoactivity of cannabinoid compounds.Excitation energies from ground-state density-functionals by means of generator coordinates.Generator coordinate method in time-dependent density-functional theory: memory made simple.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.The nuclear electric quadrupole moment of antimony from the molecular methodA chemometric study of megazol derivatives with activity against Trypanosoma equiperdumResearch Article: Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 LigandsThe use of classification methods for modeling the antioxidant activity of flavonoid compoundsA study on the influence of molecular properties in the psychoactivity of cannabinoid compoundsA quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activityDesign and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical ScavengerUniversal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculationsAccurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus modelsRate coefficient for the reaction SiO + Si2O2 at T = 10-1000 KThe isomerization of dinitrogen tetroxide: O2N-NO2 --> ONO-NO2A chemometric study of the 5-HT(1A) receptor affinities presented by arylpiperazine compoundsA polynomial version of the generator coordinate Dirac-Fock methodAn accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus modelsA combined study using ligand-based design, synthesis, and pharmacological evaluation of analogues of the acetaminophen ortho-regioisomer with potent analgesic activityThe basic antioxidant structure for flavonoid derivativesRelativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block ElementsQuantum chemical DFT study of the interaction between molecular oxygen and FeN₄ complexes, and effect of the macrocyclic ligandThe CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy propertiesIntramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach
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description
researcher
@en
name
Alberico Borges Ferreira Da Silva
@en
Da Silva AB
@nl
type
label
Alberico Borges Ferreira Da Silva
@en
Da Silva AB
@nl
altLabel
Da Silva AB
@en
prefLabel
Alberico Borges Ferreira Da Silva
@en
Da Silva AB
@nl
P106
P31
P496
0000-0003-2337-1042