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Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis

Journal of the American Chemical Society, 2022-08, Vol.144 (32), p.14555-14563

2022

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The application of machine learning techniques to innovative antibacterial discovery and development

Expert opinion on drug discovery, 2020-10, Vol.15 (10), p.1165-1180

2020

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Applying machine learning techniques for ADME-Tox prediction: a review

Expert opinion on drug metabolism & toxicology, 2015-02, Vol.11 (2), p.259-271

2015

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The Potential of Secondary Metabolites from Plants as Drugs or Leads against Trypanosoma cruzi -An Update from 2012 to 2021

Current topics in medicinal chemistry, 2023, Vol.23 (3), p.159-213

2023

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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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Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands

Molecules (Basel, Switzerland), 2018-02, Vol.23 (2), p.490

2018

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Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques

International journal of molecular sciences, 2018-12, Vol.19 (12), p.3728

2018

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Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4)

Current topics in medicinal chemistry, 2020-01, Vol.20 (3), p.209-226

2020

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Advances and Challenges in Drug Design of PPARδ Ligands

Current drug targets, 2018-01, Vol.19 (2), p.144-154

2018

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The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study

Frontiers in drug discovery, 2023-07, Vol.3

2023

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Effect of the N501Y Mutation on Ligands Complexed with SARS-CoV-2 RBD: Insights on Potential Drug Candidates for COVID-19

Drugs and drug candidates, 2023-05, Vol.2 (2), p.433-458

2023

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Molecular features for antitrypanosomal activity of thiosemicarbazones revealed by OPS-PLS QSAR studies

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2012-11, Vol.8 (6), p.1045-1056

2012

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Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein

Frontiers in chemistry, 2020-04, Vol.8, p.235-235

2020

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A fragment-based approach for ligand binding affinity and selectivity for the liver X receptor beta

Journal of molecular graphics & modelling, 2012-02, Vol.32, p.19-31

2012

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

European journal of medicinal chemistry, 2003-11, Vol.38 (11), p.929-938

2003

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Molecular properties of fatty acids related to PPAR binding and metabolic diseases

Medicinal chemistry research, 2013-07, Vol.22 (7), p.3126-3133

2013

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Theoretical calculation and structural studies for a new nitrogen derivative from nor-lapachol

Journal of molecular structure, 2014-02, Vol.1060, p.233-238

2014

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COLLECTIVE ACTION AND COLLECTIVE SCHEME IN THE MOBILIZATION OF LEARNING CHEMISTRY ACCORDING TO VERGNAUD’S THEORY OF CONCEPTUAL FIELDS

PROBLEMS OF EDUCATION IN THE 21ST CENTURY, 2017-01, Vol.75 (5), p.419-433

2017

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Spectral Region Optimization for Raman-Based Optical Biopsy of Inflammatory Lesions

Photomedicine and laser surgery, 2010-08, Vol.28 (S1), p.S-111-S-117

2010

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Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review

ChemMedChem, 2022-01, Vol.17 (1), p.e202100542-n/a

2022

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Molecular Features for Antitrypanosomal Activity of Thiosemicarbazones Revealed by OPS-PLS QSAR Studies

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2012-11, Vol.8 (6), p.1045-1056

2012

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Use of machine learning approaches for novel drug discovery

Expert opinion on drug discovery, 2016-03, Vol.11 (3), p.225-239

2016

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Advances with support vector machines for novel drug discovery

Expert opinion on drug discovery, 2019-01, Vol.14 (1), p.23-33

2019

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A combined approach toward enhancing 2-electron oxygen reduction through the incorporation of Pd-based complex into a carbonaceous matrix: Experimental and mechanistic-theoretical studies

Electrochimica acta, 2023-08, Vol.460, p.142543, Article 142543

2023

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Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment

Computational biology and chemistry, 2023-06, Vol.104, p.107869-107869, Article 107869

2023

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Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis

The application of machine learning techniques to innovative antibacterial discovery and development

Applying machine learning techniques for ADME-Tox prediction: a review

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Trypanosoma cruzi -An Update from 2012 to 2021

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

Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands

Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques

Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4)

Advances and Challenges in Drug Design of PPARδ Ligands

The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study

Effect of the N501Y Mutation on Ligands Complexed with SARS-CoV-2 RBD: Insights on Potential Drug Candidates for COVID-19

Molecular features for antitrypanosomal activity of thiosemicarbazones revealed by OPS-PLS QSAR studies

Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein

A fragment-based approach for ligand binding affinity and selectivity for the liver X receptor beta

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

Molecular properties of fatty acids related to PPAR binding and metabolic diseases

Theoretical calculation and structural studies for a new nitrogen derivative from nor-lapachol

COLLECTIVE ACTION AND COLLECTIVE SCHEME IN THE MOBILIZATION OF LEARNING CHEMISTRY ACCORDING TO VERGNAUD’S THEORY OF CONCEPTUAL FIELDS

Spectral Region Optimization for Raman-Based Optical Biopsy of Inflammatory Lesions

Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review

Molecular Features for Antitrypanosomal Activity of Thiosemicarbazones Revealed by OPS-PLS QSAR Studies

Use of machine learning approaches for novel drug discovery

Advances with support vector machines for novel drug discovery

A combined approach toward enhancing 2-electron oxygen reduction through the incorporation of Pd-based complex into a carbonaceous matrix: Experimental and mechanistic-theoretical studies

Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment

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