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Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (31), p.16989-16997

2021

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Monitoring Aquaculture Water Quality: Design of an Early Warning Sensor with Aliivibrio fischeri and Predictive Models

Sensors (Basel, Switzerland), 2018-08, Vol.18 (9), p.2848

2018

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Landscape dynamics and diversification of the megadiverse South American freshwater fish fauna

Proceedings of the National Academy of Sciences - PNAS, 2023-01, Vol.120 (2), p.e2211974120-e2211974120

2023

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Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations

Biomolecules (Basel, Switzerland), 2022-01, Vol.12 (2), p.183

2022

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Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants

Molecules (Basel, Switzerland), 2013-10, Vol.18 (10), p.12663-12674

2013

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Recent methods and biosensors for foodborne pathogen detection in fish: progress and future prospects to sustainable aquaculture systems

Critical reviews in food science and nutrition, 2021-06, Vol.61 (11), p.1852-1876

2021

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

PLoS neglected tropical diseases, 2013-08, Vol.7 (8), p.e2370

2013

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A PLS study on the psychotropic activity for a series of cannabinoid compounds

Journal of molecular modeling, 2023-02, Vol.29 (2), p.46-46, Article 46

2023

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A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents

Journal of molecular modeling, 2021-10, Vol.27 (10), p.297-297, Article 297

2021

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

PloS one, 2014-01, Vol.9 (1), p.e81301

2014

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A Proposal for the Mechanism of the CH + CO2 Reaction

ACS omega, 2019-10, Vol.4 (18), p.17843-17849

2019

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What’s new on the treatment of pedophilia and hebephilia?

European psychiatry, 2023-03, Vol.66 (S1), p.S1098-S1098

2023

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Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations

Journal of molecular modeling, 2023-08, Vol.29 (8), p.232-232, Article 232

2023

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

International journal of molecular sciences, 2014-02, Vol.15 (2), p.3186-3203

2014

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New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists

Journal of molecular modeling, 2017-10, Vol.23 (10), p.302-15, Article 302

2017

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Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery

Frontiers in robotics and AI, 2019-11, Vol.6, p.108-108

2019

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Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag2SeO4: combining experimental data and theoretical insights

Dalton transactions : an international journal of inorganic chemistry, 2022-08, Vol.51 (30), p.11346-11362

2022

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Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants

Advances in Physical Chemistry, 2012-01, Vol.2012 (2012), p.260-273

2012

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Adsorption of sodium dodecyl sulfate on Ge substrate: the effect of a low-polarity solvent

International journal of molecular sciences, 2012, Vol.13 (7), p.7980-7993

2012

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Machine learning techniques and drug design

Current medicinal chemistry, 2012-09, Vol.19 (25), p.4289-4297

2012

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Composition of Essential Oil from Leaves and Flowers of Justicia calycina from the Amazon Rainforest, Brazil

Chemistry of natural compounds, 2020-09, Vol.56 (5), p.927-929

2020

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

Molecules (Basel, Switzerland), 2013-04, Vol.18 (5), p.5032-5050

2013

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Density functional theory (DFT) study of edaravone derivatives as antioxidants

International journal of molecular sciences, 2012-06, Vol.13 (6), p.7594-7606

2012

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Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease

Journal of molecular modeling, 2024, Vol.30 (10), p.350, Article 350

2024

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An Extended log-Lindley-G Family: Properties and Experiments in Repairable Data

Mathematics (Basel), 2021-12, Vol.9 (23), p.3108

2021

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Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl

Monitoring Aquaculture Water Quality: Design of an Early Warning Sensor with Aliivibrio fischeri and Predictive Models

Landscape dynamics and diversification of the megadiverse South American freshwater fish fauna

Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations

Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants

Recent methods and biosensors for foodborne pathogen detection in fish: progress and future prospects to sustainable aquaculture systems

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

A PLS study on the psychotropic activity for a series of cannabinoid compounds

A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents

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

A Proposal for the Mechanism of the CH + CO2 Reaction

What’s new on the treatment of pedophilia and hebephilia?

Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations

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

New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists

Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery

Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag2SeO4: combining experimental data and theoretical insights

Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants

Adsorption of sodium dodecyl sulfate on Ge substrate: the effect of a low-polarity solvent

Machine learning techniques and drug design

Composition of Essential Oil from Leaves and Flowers of Justicia calycina from the Amazon Rainforest, Brazil

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

Density functional theory (DFT) study of edaravone derivatives as antioxidants

Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease

An Extended log-Lindley-G Family: Properties and Experiments in Repairable Data

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