Titlebook: In Silico Modeling of Drugs Against Coronaviruses; Computational Tools Kunal Roy Book 2021 The Editor(s) (if applicable) and The Author(s)

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Ligand-Based Approaches for the Development of Drugs Against SARS-CoV-2es worldwide. SARS-CoV-2 is a betacoronavirus which possesses a single-stranded positive-sense RNA genome that encodes various structural, non-structural, and accessory proteins. Due to the zoonotic nature of SARS-CoV-2 and current transmission trend, scientists must identify effective therapeutics

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Computational Drug Repurposing for the Development of Drugs Against Coronaviruses16), structural proteins (S, E, M, N), and several accessory proteins. The non-structural proteins carry out activities critical for viral functions, and the structural proteins play a significant role in viral assembly and structure. The zoonotic nature of coronaviruses is responsible for the past

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Computational Methods and Tools for Repurposing of Drugs Against Coronavirusesg drugs for new indication which is termed as “drug repurposing” is of growing importance to the scientific community. The current pandemic has further reinforced the importance of drug repurposing especially when the world is looking forward to a quick and effective solution to treat Covid19. Compu

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Protein–Protein Interaction Network for the Identification of New Targets Against Novel Coronavirus disease. SARS-CoV-2 provides novel clinical, immunological, and pathological features, compared to other established coronaviruses, such as the Middle East respiratory syndrome (MERS-CoV) and severe acute respiratory syndrome (SARS-CoV). There is no indication of successful antiviral treatment or v

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Nonequilibrium Alchemical Simulations for the Development of Drugs Against Covid-19S-CoV2-related biological targets are urgently needed. The consensus computational pipeline in drug development starts from triaging via docking tools of data-driven generated libraries of compounds followed by Molecular Dynamics (MD) techniques on a subset of the best scoring ligands. In this conte