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2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method

Heliyon, 2020-08, Vol.6 (8), p.e04514-e04514, Article e04514

2020

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3D-QSAR and molecular docking studies of 4-methyl quinazoline derivatives as PI3Kα inhibitors

Journal of the Indian Chemical Society, 2021-11, Vol.98 (11), p.100183, Article 100183

2021

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3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors

Journal of biomolecular structure & dynamics, 2023-01, Vol.41 (1), p.234-248

2023

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Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations

Turkish journal of chemistry, 2022-01, Vol.46 (3), p.687-703

2022

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Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking and molecular dynamics simulations

Turkish journal of chemistry, 2021-12

2021

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Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET investigations

New journal of chemistry, 2022-11, Vol.46 (43), p.2786-28

2022

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Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (10), p.4667-4680

2023

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Energy Consumption and Cost Analysis for Data Centers with Workload Control

Innovations in Bio-Inspired Computing and Applications, 2018, Vol.735, p.92-101

2018

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Enhancing clay adsorption properties: A comparison between chemical and combined chemical/thermal treatments

Groundwater for sustainable development, 2021-02, Vol.12, p.100544, Article 100544

2021

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Fabrication and characterization of a ceramic membrane from clay and banana peel powder: Application to industrial wastewater treatment

Materials chemistry and physics, 2019-04, Vol.227, p.291-301

2019

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Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein

Neuroscience letters, 2022-08, Vol.786, p.136803-136803, Article 136803

2022

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Identification of Novel SARS-CoV-2 Inhibitors: A Structure-Based Virtual Screening Approach

Journal of chemistry, 2021, Vol.2021, p.1-7

2021

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Innovative, Sustainable Composite Material Based on Glutenin Biopolymeric-Clay for Efficient Separation of Rare Earth Elements

SSRN Electronic Journal

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An insight of enhanced natural material (calcined diatomite) efficiency in nickel and silver retention: Application to natural effluents

Environmental technology & innovation, 2020-05, Vol.18, p.100768, Article 100768

2020

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Modeling study, 3D-QSAR and molecular docking of 9H-purine derivatives as EGFR inhibitors

Materials today : proceedings, 2022, Vol.62, p.6312-6323

2022

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Molecular Modeling Studies of C-Glycosylfavone Derivatives as GSK-3β Inhibitors Based on QSAR and Docking Analysis

Journal of solution chemistry, 2021-05, Vol.50 (5), p.808-822

2021

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Physical Properties and Electronic Structure of Ternary Barium Copper Sulfides

Journal of solid state chemistry, 1995-06, Vol.117 (1), p.73-79

1995

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Préparation et première caractérisation mécanique de composites frittés à base de céramiques Bi 2 Sr 2 CaCu 2 O 8 et SnO 2

European journal of control, 2005-04, Vol.30 (2), p.187-192

2005

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QSAR modeling, molecular docking studies and ADMET prediction on a series of phenylaminopyrimidine-(thio) urea derivatives as CK2 inhibitors

Materials today : proceedings, 2022, Vol.51, p.1851-1862

2022

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QSAR study of isonicotinamides derivatives as Alzheimr's disease inhibitors using PLS-R and ANN methods

2019 International Conference on Intelligent Systems and Advanced Computing Sciences (ISACS), 2019, p.1-7

2019

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A quantitative study of the structure-activity relationship and molecular docking of 5.6.7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents using quantum chemical descriptors and statistical methods

Journal of molecular structure, 2022-12, Vol.1270, p.133794, Article 133794

2022

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Relation entre la morphologie des précurseurs et la microstructure de la céramique WO 3 frittée

Comptes rendus de l'Académie des sciences. Series IIC, Chemistry, 2000, Vol.3 (5), p.335-340

2000

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Relation entre la morphologie des précurseurs et la microstructure de la céramique WO3 frittée

Comptes rendus de l'Académie des sciences. Series IIC, Chemistry, 2000-05, Vol.3 (5), p.335-340

2000

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A review on synthesis of zeolites from natural clay resources and waste ash: Recent approaches and progress

Minerals engineering, 2023-07, Vol.198, p.108086, Article 108086

2023

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In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction

International journal of peptide research and therapeutics, 2020-09, Vol.26 (3), p.1335-1351

2020

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2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method

3D-QSAR and molecular docking studies of 4-methyl quinazoline derivatives as PI3Kα inhibitors

3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking and molecular dynamics simulations

Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET investigations

Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy

Energy Consumption and Cost Analysis for Data Centers with Workload Control

Enhancing clay adsorption properties: A comparison between chemical and combined chemical/thermal treatments

Fabrication and characterization of a ceramic membrane from clay and banana peel powder: Application to industrial wastewater treatment

Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein

Identification of Novel SARS-CoV-2 Inhibitors: A Structure-Based Virtual Screening Approach

Innovative, Sustainable Composite Material Based on Glutenin Biopolymeric-Clay for Efficient Separation of Rare Earth Elements

An insight of enhanced natural material (calcined diatomite) efficiency in nickel and silver retention: Application to natural effluents

Modeling study, 3D-QSAR and molecular docking of 9H-purine derivatives as EGFR inhibitors

Molecular Modeling Studies of C-Glycosylfavone Derivatives as GSK-3β Inhibitors Based on QSAR and Docking Analysis

Physical Properties and Electronic Structure of Ternary Barium Copper Sulfides

Préparation et première caractérisation mécanique de composites frittés à base de céramiques Bi 2 Sr 2 CaCu 2 O 8 et SnO 2

QSAR modeling, molecular docking studies and ADMET prediction on a series of phenylaminopyrimidine-(thio) urea derivatives as CK2 inhibitors

QSAR study of isonicotinamides derivatives as Alzheimr's disease inhibitors using PLS-R and ANN methods

A quantitative study of the structure-activity relationship and molecular docking of 5.6.7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents using quantum chemical descriptors and statistical methods

Relation entre la morphologie des précurseurs et la microstructure de la céramique WO 3 frittée

Relation entre la morphologie des précurseurs et la microstructure de la céramique WO3 frittée

A review on synthesis of zeolites from natural clay resources and waste ash: Recent approaches and progress

In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction

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