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Modeling and experimental validation of covalent immobilization of Trametes maxima laccase on glyoxyl and MANA‐Sepharose CL 4B supports, for the use in bioconversion of residual colorants

Biotechnology and applied biochemistry, 2022-04, Vol.69 (2), p.479-491

2022

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Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1)

Chemical research in toxicology, 2019-04, Vol.32 (4), p.566-577

2019

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Advanced Materials Based on Nanosized Hydroxyapatite

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3190

2021

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Differential impact of diesel exhaust particles on glutamatergic and dopaminergic neurons in Caenorhabditis elegans: A neurodegenerative perspective

Environment international, 2024-04, Vol.186, p.108597-108597, Article 108597

2024

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Unraveling the Compositional and Molecular Features Involved in Lysozyme-Benzothiazole Derivative Interactions

Molecules (Basel, Switzerland), 2021-09, Vol.26 (19), p.5855

2021

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A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data

Particle and fibre toxicology, 2023-05, Vol.20 (1), p.21-21, Article 21

2023

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Developing a Multi-target Model to Predict the Activity of Monoamine Oxidase A and B Drugs

Current topics in medicinal chemistry, 2020-01, Vol.20 (18), p.1593

2020

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Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study

Molecules (Basel, Switzerland), 2020-11, Vol.25 (22), p.5425

2020

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JM-20, a novel benzodiazepine–dihydropyridine hybrid molecule, protects mitochondria and prevents ischemic insult-mediated neural cell death in vitro

European journal of pharmacology, 2014-03, Vol.726, p.57-65

2014

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New Mechanistic Insight on the PIM-1 Kinase Inhibitor AZD1208 Using Multidrug Resistant Human Erythroleukemia Cell Lines and Molecular Docking Simulations

Current topics in medicinal chemistry, 2019-01, Vol.19 (11), p.914

2019

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Decoding the conformational binding of drug mixtures on ovalbumin: An integrated multimodal network

International journal of biological macromolecules, 2024-03, Vol.261 (Pt 2), p.129866-129866, Article 129866

2024

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New Mechanistic Insights on Carbon Nanotubes' Nanotoxicity Using Isolated Submitochondrial Particles, Molecular Docking, and Nano-QSTR Approaches

Biology (Basel, Switzerland), 2021-02, Vol.10 (3), p.171

2021

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Conformational binding mechanism of lysozyme induced by interactions with penicillin antibiotic drugs

Journal of molecular liquids, 2022-07, Vol.358, p.119081, Article 119081

2022

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Nanomarker for Early Detection of Alzheimer’s Disease Combining Ab initio DFT Simulations and Molecular Docking Approach

Biophysica, 2021-06, Vol.1 (2), p.76-86

2021

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Revealing the binding dynamics between catanionic surfactants and lysozyme: A synergistic computational approach coupled with experimental validation

Journal of molecular liquids, 2023-11, Vol.390, p.123121, Article 123121

2023

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Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation

Journal of molecular graphics & modelling, 2019-05, Vol.88, p.121-127

2019

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Exploring the conformational binding mechanism of fibrinogen induced by interactions with penicillin β-lactam antibiotic drugs

Journal of molecular liquids, 2021-02, Vol.324, p.114667, Article 114667

2021

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Carbon Nanotubes' Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

Nanomaterials (Basel, Switzerland), 2017-11, Vol.7 (11), p.386

2017

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Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches

International journal of biological macromolecules, 2020-11, Vol.163, p.730-744

2020

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Graphene oxide and GST-omega enzyme: An interaction that affects arsenic metabolism in the shrimp Litopenaeus vannamei

The Science of the total environment, 2020-05, Vol.716, p.136893-136893, Article 136893

2020

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Different crystalline forms of titanium dioxide nanomaterial (rutile and anatase) can influence the toxicity of copper in golden mussel Limnoperna fortunei?

Aquatic toxicology, 2018-12, Vol.205, p.182-192

2018

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Computational modeling on mitochondrial channel nanotoxicity

Nano today, 2020-10, Vol.34, p.100913, Article 100913

2020

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Structural and energetic evolution of fibrinogen toward to the betablocker interactions

International journal of biological macromolecules, 2019-09, Vol.137, p.405-419

2019

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Modeling drug-drug interactions of AZD1208 with Vincristine and Daunorubicin on ligand-extrusion binding TMD-domains of multidrug resistance P-glycoprotein (ABCB1)

Toxicology (Amsterdam), 2019-01, Vol.411, p.81-92

2019

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Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory

Scientific reports, 2017-10, Vol.7 (1), p.13271-19, Article 13271

2017

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Modeling and experimental validation of covalent immobilization of Trametes maxima laccase on glyoxyl and MANA‐Sepharose CL 4B supports, for the use in bioconversion of residual colorants

Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1)

Advanced Materials Based on Nanosized Hydroxyapatite

Differential impact of diesel exhaust particles on glutamatergic and dopaminergic neurons in Caenorhabditis elegans: A neurodegenerative perspective

Unraveling the Compositional and Molecular Features Involved in Lysozyme-Benzothiazole Derivative Interactions

A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data

Developing a Multi-target Model to Predict the Activity of Monoamine Oxidase A and B Drugs

Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study

JM-20, a novel benzodiazepine–dihydropyridine hybrid molecule, protects mitochondria and prevents ischemic insult-mediated neural cell death in vitro

New Mechanistic Insight on the PIM-1 Kinase Inhibitor AZD1208 Using Multidrug Resistant Human Erythroleukemia Cell Lines and Molecular Docking Simulations

Decoding the conformational binding of drug mixtures on ovalbumin: An integrated multimodal network

New Mechanistic Insights on Carbon Nanotubes' Nanotoxicity Using Isolated Submitochondrial Particles, Molecular Docking, and Nano-QSTR Approaches

Conformational binding mechanism of lysozyme induced by interactions with penicillin antibiotic drugs

Nanomarker for Early Detection of Alzheimer’s Disease Combining Ab initio DFT Simulations and Molecular Docking Approach

Revealing the binding dynamics between catanionic surfactants and lysozyme: A synergistic computational approach coupled with experimental validation

Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation

Exploring the conformational binding mechanism of fibrinogen induced by interactions with penicillin β-lactam antibiotic drugs

Carbon Nanotubes' Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches

Graphene oxide and GST-omega enzyme: An interaction that affects arsenic metabolism in the shrimp Litopenaeus vannamei

Different crystalline forms of titanium dioxide nanomaterial (rutile and anatase) can influence the toxicity of copper in golden mussel Limnoperna fortunei?

Computational modeling on mitochondrial channel nanotoxicity

Structural and energetic evolution of fibrinogen toward to the betablocker interactions

Modeling drug-drug interactions of AZD1208 with Vincristine and Daunorubicin on ligand-extrusion binding TMD-domains of multidrug resistance P-glycoprotein (ABCB1)

Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory

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