Interactions of the Receptor Binding Domain of SARS-CoV-2 Variants with hACE2: Insights from Molecular Docking Analysis and Molecular Dynamic Simulation

Early transmissibility assessment of the N501Y mutant strains of SARS-CoV-2 in the United Kingdom, October to November 2020

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Furin cleavage of SARS-CoV-2 Spike promotes but is not essential for infection and cell-cell fusion

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New variant of SARS-CoV-2 in UK causes surge of COVID-19

(2021) Tony Kirby   Lancet Respiratory Medicine

A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation

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Identification of SARS-CoV-2 spike mutations that attenuate monoclonal and serum antibody neutralization

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(2021) Zijun Wang et al.   NATURE

Estimated transmissibility and impact of SARS-CoV-2 lineage B.1.1.7 in England

(2021) Nicholas G. Davies et al.   SCIENCE

Serine 477 plays a crucial role in the interaction of the SARS-CoV-2 spike protein with the human receptor ACE2

(2021) Amit Singh et al.   Scientific Reports

The effect of spike mutations on SARS-CoV-2 neutralization

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Structural analysis of COVID-19 spike protein in recognizing the ACE2 receptor of different mammalian species and its susceptibility to viral infection

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Increased resistance of SARS-CoV-2 variant P.1 to antibody neutralization

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Enhanced binding of the N501Y‐mutated SARS‐CoV‐2 spike protein to the human ACE2 receptor: insights from molecular dynamics simulations

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Higher infectivity of the SARS‐CoV‐2 new variants is associated with K417N/T, E484K, and N501Y mutants: An insight from structural data

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Structural modeling of the SARS-CoV-2 Spike/human ACE2 complex interface can identify high-affinity variants associated with increased transmissibility

(2021) Hin Hark Gan et al.   JOURNAL OF MOLECULAR BIOLOGY

SARS-CoV-2 B.1.1.7 and B.1.351 spike variants bind human ACE2 with increased affinity

(2021) Muthukumar Ramanathan et al.   LANCET INFECTIOUS DISEASES

Efficacy of the ChAdOx1 nCoV-19 Covid-19 Vaccine against the B.1.351 Variant

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Role of Structural and Non-Structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19

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Mutation Signatures and In Silico Docking of Novel SARS-CoV-2 Variants of Concern

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V483A: an emerging mutation hotspot of SARS-CoV-2

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Experimental Evidence for Enhanced Receptor Binding by Rapidly Spreading SARS-CoV-2 Variants

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Coronavirus variants get Greek names — but will scientists use them?

(2021) Ewen Callaway   NATURE

Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity

(2021) Sophie M.-C. Gobeil et al.   SCIENCE

SARS-CoV-2 variant B.1.617 is resistant to bamlanivimab and evades antibodies induced by infection and vaccination

(2021) Markus Hoffmann et al.   Cell Reports

Emerging SARS-CoV-2 variants: impact on vaccine efficacy and neutralizing antibodies

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The Emerging Concern and Interest SARS-CoV-2 Variants

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Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations

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Bioactive Compounds from Medicinal Plants and their Possible Effect as Therapeutic Agents against COVID-19: A Review

(2021) Khairan Khairan et al.   Current Nutrition & Food Science

Severe Acute Respiratory Syndrome Coronavirus 2: The Emergence of Important Genetic Variants and Testing Options for Clinical Laboratories

(2021) Blake W. Buchan et al.   Clinical Microbiology Newsletter

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and coronavirus disease-2019 (COVID-19): The epidemic and the challenges

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Genomic variance of the 2019‐nCoV coronavirus

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Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

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Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2

(2020) Renhong Yan et al.   SCIENCE

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

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The HDOCK server for integrated protein–protein docking

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Characterization of spike glycoprotein of SARS-CoV-2 on virus entry and its immune cross-reactivity with SARS-CoV

(2020) Xiuyuan Ou et al.   Nature Communications

A Structural View of SARS-CoV-2 RNA Replication Machinery: RNA Synthesis, Proofreading and Final Capping

(2020) Maria Romano et al.   Cells

Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19

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The Impact of Mutations in SARS-CoV-2 Spike on Viral Infectivity and Antigenicity

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Controlling the SARS-CoV-2 spike glycoprotein conformation

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Adaptation of SARS-CoV-2 in BALB/c mice for testing vaccine efficacy

(2020) Hongjing Gu et al.   SCIENCE

Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach

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Biochemical and Computational Approach of Selected Phytocompounds from Tinospora crispa in the Management of COVID-19

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Covid‐19 and dengue: Double punches for dengue‐endemic countries in Asia

(2020) Harapan Harapan et al.   REVIEWS IN MEDICAL VIROLOGY

Emergence of a new SARS-CoV-2 variant in the UK

(2020) Julian W Tang et al.   JOURNAL OF INFECTION

Drug Repurposing Approach against Novel Coronavirus Disease (COVID-19) through Virtual Screening Targeting SARS-CoV-2 Main Protease

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End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

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SWISS-MODEL: homology modelling of protein structures and complexes

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HDOCK: a web server for protein–protein and protein–DNA/RNA docking based on a hybrid strategy

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Protein–protein interactions: detection, reliability assessment and applications

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g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

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Prediction and Analysis of Surface Hydrophobic Residues in Tertiary Structure of Proteins

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LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

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Improved side-chain torsion potentials for the Amber ff99SB protein force field

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