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Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein

Journal of molecular structure, 2020-12, Vol.1221, p.128823-128823, Article 128823

2020

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Molecular Dynamics Simulations of Claudin-10a and -10b Ion Channels: With Similar Architecture, Different Pore Linings Determine the Opposite Charge Selectivity

International journal of molecular sciences, 2024-03, Vol.25 (6), p.3161

2024

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Molecular Modeling Study on Diazine Indole Acetic Acid Derivatives for CRTH2 Inhibitory Activity

Combinatorial chemistry & high throughput screening, 2016-01, Vol.19 (6), p.444

2016

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Toward a better understanding of the interaction between somatostatin receptor 2 and its ligands: a structural characterization study using molecular dynamics and conceptual density functional theory

Journal of biomolecular structure & dynamics, 2019-08, Vol.37 (12), p.3081-3102

2019

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Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches

Frontiers in pharmacology, 2022-04, Vol.13, p.837369-837369

2022

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Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability

Computational and structural biotechnology journal, 2023-01, Vol.21, p.1711-1727

2023

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Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2

Scientific reports, 2021-04, Vol.11 (1), p.7677-7677, Article 7677

2021

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Molecular-Level Understanding of the Somatostatin Receptor 1 (SSTR1)–Ligand Binding: A Structural Biology Study Based on Computational Methods

ACS omega, 2020-08, Vol.5 (33), p.21145-21161

2020

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Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods

Proteins, structure, function, and bioinformatics, 2022-03, Vol.90 (3), p.704-719

2022

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Understanding the structural features of JAK2 inhibitors: a combined 3D-QSAR, DFT and molecular dynamics study

Molecular diversity, 2019-11, Vol.23 (4), p.845-874

2019

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Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits

South African journal of botany, 2022-01, Vol.144, p.166-174

2022

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Theoretical analysis of somatostatin receptor 5 with antagonists and agonists for the treatment of neuroendocrine tumors

Molecular diversity, 2017-05, Vol.21 (2), p.367-384

2017

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Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation

Journal of biomolecular structure & dynamics, 2022-07, Vol.40 (13), p.5932-5955

2022

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Investigation of Empirical and Semi‐Empirical Charges to Study the Effects of Partial Charges on Quality and Prediction Accuracy in 3D‐QSAR

ChemistrySelect (Weinheim), 2019-04, Vol.4 (14), p.3990-4002

2019

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Radio-protective efficacy of Gymnema sylvestre on Pangasius sutchi against gamma (60Co) irradiation

International journal of radiation biology, 2022-02, Vol.98 (2), p.212-229

2022

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Isolation, purification and characterization of proteinaceous fungal α-amylase inhibitor from rhizome of Cheilocostus speciosus (J.Koenig) C.D.Specht

International journal of biological macromolecules, 2018-05, Vol.111, p.39-51

2018

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Structural characterization of human CRTh2: a combined homology modeling, molecular docking and 3D-QSAR-based in silico approach

Medicinal chemistry research, 2016-04, Vol.25 (4), p.653-671

2016

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Server-Less Rule-Based Chatbot Using Deep Neural Network

Nagarajan, Santhosh Kumar

2019

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Chaos quantum optimization‐based layered diagnosis framework for faulty sensor node diagnosis and classification in wireless sensor networks

International journal of communication systems, 2024-07, Vol.37 (11), p.n/a

2024

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Comprehensive analysis on sensor node fault management schemes in wireless sensor networks

International journal of communication systems, 2022-12, Vol.35 (18), p.n/a

2022

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Intensification of Sono-Assisted CO2 Stripping/Carbon-Rich Solvent Regeneration by Fe2O3 Hydrophobic Micronized Particles

Industrial & engineering chemistry research, 2023-05, Vol.62 (18), p.7072-7079

2023

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Intensification of Sono-Assisted CO 2 Stripping/Carbon-Rich Solvent Regeneration by Fe 2 O 3 Hydrophobic Micronized Particles

Industrial & engineering chemistry research, 2023-05, Vol.62 (18), p.7072-7079

2023

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Genome analysis of triple phages that curtails MDR E. coli with ML based host receptor prediction and its evaluation

Scientific reports, 2023-12, Vol.13 (1), p.23040-23040, Article 23040

2023

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Contact tracing for COVID-19 in a healthcare institution: Our experience and lessons learned

International journal of health & allied sciences, 2023-11, Vol.12 (4)

2023

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Enhanced Electrochemical Detection of Ketorolac Tromethamine at Polypyrrole Modified Glassy Carbon Electrode

Analytical Sciences, 2007, Vol.23(4), pp.475-478

2007

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Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein

Molecular Dynamics Simulations of Claudin-10a and -10b Ion Channels: With Similar Architecture, Different Pore Linings Determine the Opposite Charge Selectivity

Molecular Modeling Study on Diazine Indole Acetic Acid Derivatives for CRTH2 Inhibitory Activity

Toward a better understanding of the interaction between somatostatin receptor 2 and its ligands: a structural characterization study using molecular dynamics and conceptual density functional theory

Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches

Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability

Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2

Molecular-Level Understanding of the Somatostatin Receptor 1 (SSTR1)–Ligand Binding: A Structural Biology Study Based on Computational Methods

Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods

Understanding the structural features of JAK2 inhibitors: a combined 3D-QSAR, DFT and molecular dynamics study

Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits

Theoretical analysis of somatostatin receptor 5 with antagonists and agonists for the treatment of neuroendocrine tumors

Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation

Investigation of Empirical and Semi‐Empirical Charges to Study the Effects of Partial Charges on Quality and Prediction Accuracy in 3D‐QSAR

Radio-protective efficacy of Gymnema sylvestre on Pangasius sutchi against gamma (60Co) irradiation

Isolation, purification and characterization of proteinaceous fungal α-amylase inhibitor from rhizome of Cheilocostus speciosus (J.Koenig) C.D.Specht

Structural characterization of human CRTh2: a combined homology modeling, molecular docking and 3D-QSAR-based in silico approach

Server-Less Rule-Based Chatbot Using Deep Neural Network

Chaos quantum optimization‐based layered diagnosis framework for faulty sensor node diagnosis and classification in wireless sensor networks

Comprehensive analysis on sensor node fault management schemes in wireless sensor networks

Intensification of Sono-Assisted CO2 Stripping/Carbon-Rich Solvent Regeneration by Fe2O3 Hydrophobic Micronized Particles

Intensification of Sono-Assisted CO 2 Stripping/Carbon-Rich Solvent Regeneration by Fe 2 O 3 Hydrophobic Micronized Particles

Genome analysis of triple phages that curtails MDR E. coli with ML based host receptor prediction and its evaluation

Contact tracing for COVID-19 in a healthcare institution: Our experience and lessons learned

Enhanced Electrochemical Detection of Ketorolac Tromethamine at Polypyrrole Modified Glassy Carbon Electrode

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