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A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives
A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives
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A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

Akash, Shopnil ; Aovi, Farjana Islam ; Azad, Md. A. K ; Kumer, Ajoy ; Chakma, Unesco ; Islam, Md. Rezaul ; Mukerjee, Nobendu ; Rahman, Md. Mominur ; Bayil, Imren ; Rashid, Summya ; Sharma, Rohit Sehgal, Sheikh Arslan

PloS one, 2023-10, Vol.18 (10), p.e0283271-e0283271 [Periódico revisado por pares]

San Francisco: Public Library of Science

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Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study
Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study
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Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study

Kumer, Ajoy ; Chakma, Unesco ; Rana, Md Masud ; Chandro, Akhel ; Akash, Shopnil ; Elseehy, Mona M. ; Albogami, Sarah ; El-Shehawi, Ahmed M.

Molecules (Basel, Switzerland), 2022-06, Vol.27 (12), p.3694 [Periódico revisado por pares]

Basel: MDPI AG

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3
Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies
Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies
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Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies

Kumer, Ajoy ; Chakma, Unesco ; Matin, Mohammed M

Orbital : The Electronic Journal of Chemistry, 2022-01, Vol.14 (1), p.15

Universidade Federal de Mato Grosso do Sul

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Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis
Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis
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Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis

Matin, Mohammed Mahbubul ; Kumer, Ajoy ; Chandro, Akhel ; Akash, Shopnil ; Chakma, Unesco

Orbital : The Electronic Journal of Chemistry, 2024-05, Vol.16 (1), p.50-61

Universidade Federal de Mato Grosso do Sul

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Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis
Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis
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Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis

Matin, Mohammed M ; Kumer, Ajoy ; Chandro, Akhel ; Akash, Shopnil ; Chakma, Unesco

Orbital : The Electronic Journal of Chemistry, 2024-01, Vol.16 (1), p.50

Universidade Federal de Mato Grosso do Sul

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