2020 | Parth Sarthi Sen Gupta

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Molecular Structure Concept

Computer-aided discovery of bis-indole derivatives as multi-target drugs against cancer and bacterial infections: DFT, docking, virtual screening, and molecular dynamics studies

Journal of Molecular Liquids 320, 114375 (2020)

Molecular Structure Concept

Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV

Computational Biology and Chemistry 89, 107400 (2020)

Molecular Structure Concept

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Ivermectin, famotidine, and doxycycline: a suggested combinatorial therapeutic for the treatment of COVID-19

ACS Pharmacology & Translational Science 3 (5), 1037-1038 (2020)

Molecular Structure Concept

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Screening and molecular characterization of lethal mutations of human homogentisate 1, 2 dioxigenase

Journal of Biomolecular Structure and Dynamics 39 (5), 1661-1671 (2020)

Molecular Structure Concept

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Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin

Journal of Biomolecular Structure and Dynamics 38 (1) (2020)

Molecular Structure Concept

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Molecular Mechanism of Clinically Oriented Drug Famotidine with the Identified Potential Target of SARS-CoV-2 (2020)

ChemRxiv (2020)

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