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Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches.

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TLDR
Rutin, a bioflavonoid and the antibiotic, doxycycline, is identified as the most potent inhibitor of SARS-CoV-2 envelope protein, which is a essential role in the assembly and formation of the infectious virion particles.
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This article is published in Infection, Genetics and Evolution.The article was published on 2020-10-01 and is currently open access. It has received 83 citations till now. The article focuses on the topics: Virion assembly & Membrane protein.

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Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach.

TL;DR: In this article, the authors report a comprehensive computational approach to identify the multi-targeted drug molecules against the SARS-CoV-2 proteins, which are crucially involved in the viral-host interaction, replication of the virus inside the host, disease progression and transmission of coronavirus infection.
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Nucleic Acid-Based Diagnostic Tests for the Detection SARS-CoV-2: An Update.

TL;DR: In this article, the authors present an objective overview of the latest nucleic acid-based diagnostic tests for the detection of SARS-CoV-2 that have been authorized by the Food and Drug Administration (FDA) under emergency use authorization (EUA) as of 31 October 2020.
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Multidisciplinary Approaches Identify Compounds that Bind to Human ACE2 or SARS-CoV-2 Spike Protein as Candidates to Block SARS-CoV-2-ACE2 Receptor Interactions.

TL;DR: In this article, a dual strategy of molecular docking and surface plasmon resonance (SPR) screening of compound libraries was used to identify those that bind to human ACE2 or the SARS-CoV-2 spike protein receptor binding domain (RBD).
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In silico identification of Tretinoin as a SARS-CoV-2 envelope (E) protein ion channel inhibitor.

TL;DR: The possibility of exploring Tretinoin as a potential SARS-CoV-2 E protein ion channel blocker and virus assembly inhibitor is highlighted, which could be an important therapeutic strategy in the treatment for coronaviruses.
References
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Journal ArticleDOI

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

TL;DR: An N⋅log(N) method for evaluating electrostatic energies and forces of large periodic systems is presented based on interpolation of the reciprocal space Ewald sums and evaluation of the resulting convolutions using fast Fourier transforms.
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PROCHECK: a program to check the stereochemical quality of protein structures

TL;DR: The PROCHECK suite of programs as mentioned in this paper provides a detailed check on the stereochemistry of a protein structure and provides an assessment of the overall quality of the structure as compared with well refined structures of the same resolution.
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A Novel Coronavirus from Patients with Pneumonia in China, 2019.

TL;DR: Human airway epithelial cells were used to isolate a novel coronavirus, named 2019-nCoV, which formed a clade within the subgenus sarbecovirus, Orthocoronavirinae subfamily, which is the seventh member of the family of coronaviruses that infect humans.
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A pneumonia outbreak associated with a new coronavirus of probable bat origin

TL;DR: Identification and characterization of a new coronavirus (2019-nCoV), which caused an epidemic of acute respiratory syndrome in humans in Wuhan, China, and it is shown that this virus belongs to the species of SARSr-CoV, indicates that the virus is related to a bat coronav virus.
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

TL;DR: GROMACS is one of the most widely used open-source and free software codes in chemistry, used primarily for dynamical simulations of biomolecules, and provides a rich set of calculation types.
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