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Promising Terpenes as Natural Antagonists of Cancer: An In-Silico Approach

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A pneumonia outbreak associated with a new coronavirus of probable bat origin

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

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Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

(2020) Canrong Wu et al.   Acta Pharmaceutica Sinica B

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

(2020) Qihui Wang et al.   CELL

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

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Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

(2020) Davide Gentile et al.   Marine Drugs

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(2020) Jian Shang et al.   NATURE

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Delayed Initiation of Remdesivir in a COVID‐19‐Positive Patient

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Substantial undocumented infection facilitates the rapid dissemination of novel coronavirus (SARS-CoV-2)

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A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease

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Remdesivir for severe acute respiratory syndrome coronavirus 2 causing COVID-19: An evaluation of the evidence

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Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

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Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

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Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach

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Identification of a Potential Peptide Inhibitor of SARS-CoV-2 Targeting its Entry into the Host Cells

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Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in silico Structure-Based Virtual Screening Approach

(2020) Shweta Choudhary et al.   Frontiers in Immunology

Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease

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Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore‐based virtual screening approach

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Occurrence of the potent mutagens 2- nitrobenzanthrone and 3-nitrobenzanthrone in fine airborne particles

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Epitope‐based peptide vaccine design and target site depiction against Middle East Respiratory Syndrome Coronavirus: an immune-informatics study

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Chikungunya virus inhibition by peptidomimetic inhibitors targeting virus-specific cysteine protease

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Perspectives towards antiviral drug discovery against Ebola virus

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Glycan-dependent chikungunya viral infection divulged by antiviral activity of NAG specific chi-like lectin

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Molecular docking and in silico ADMET studies of silibinin and glycyrrhetic acid anti-inflammatory activity

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MPD3: a useful medicinal plants database for drug designing

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SARS and MERS: recent insights into emerging coronaviruses

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Inhibition of chikungunya virus by picolinate that targets viral capsid protein

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

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Novel Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Entry That Act by Three Distinct Mechanisms

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Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches

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NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

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Automation of the Charmm General Force Field for Drug-Like Molecules

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Licochalcone A inhibits growth of gastric cancer cells by arresting cell cycle progression and inducing apoptosis

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Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor

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