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Theoretical and Computational Chemistry

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Molecular Docking of Secondary Metabolites from Psidium guajava L. and Piper nigrum L. to COVID-19 Associated Receptors ACE2, Spike Protein RBD, and TMPRSS2

Maurice De Jesus, Jokent Gaza, Hiyas A. Junio, Ricky Nellas

Version 1 posted 27 August 2020

1,093

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3

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Biological and Medicinal Chemistry

Working Paper

On the Generation of Novel Ligands for SARS-CoV-2 Protease and ACE2 Receptor via Constrained Graph Variational Autoencoders

Jasper Kyle Catapang, Junie B. Billones

Version 3 posted 24 March 2020

2,472

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1

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Theoretical and Computational Chemistry

Working Paper

Decoding the Proteome of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) for Cell-Penetrating Peptides Involved in Pathogenesis or Applicable as Drug Delivery Vectors

Shiva Hemmati, Yasaman Behzadipour, Mahdi Haddad

Version 1 posted 02 June 2020

644

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Theoretical and Computational Chemistry

Working Paper

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

André Fischer, Manuel Sellner, Santhosh Neranjan, Markus A. Lill, Martin Smieško

Version 2 posted 20 April 2020

9,483

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2

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Theoretical and Computational Chemistry

Working Paper

Quantum Machine Learning for Drug Discovery

Kushal Batra, Kimberley M. Zorn, Daniel H. Foil, Eni Minerali, Victor O. Gawriljuk, Thomas R. Lane, sean ekins

Version 1 posted 10 August 2020

1,127

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1

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Theoretical and Computational Chemistry

Working Paper

Identification of Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana

Version 2 posted 10 April 2020

1,938

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5

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Biological and Medicinal Chemistry

Working Paper

In Silico Analysis of Intermediate Hosts and Susceptible Animals of SARS-CoV-2

Canrong Wu, Mengzhu Zheng, Yueying Yang, Mingxue Li, Yang Liu, Peng Zhang, Yali Wang, Qiqi Wang, Yang Xu, Lixia Chen, Hua Li

Version 1 posted 03 April 2020

2,011

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4

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Biological and Medicinal Chemistry

Working Paper

Virtual Screening of Naturally Occurring Antiviral Molecules for SARS-CoV-2 Mitigation Using Docking Tool on Multiple Molecular Targets

Shiwani Rana, Sanjay Sharma, Kalyan Sundar Ghosh

Version 1 posted 02 June 2020

898

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2

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Theoretical and Computational Chemistry

Working Paper

501Y.V2 Spike Protein Resists the Antibody in Atomistic Simulations

Son Tung Ngo

Version 1 posted 24 May 2021

284

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Biological and Medicinal Chemistry

Working Paper

Subunit Vaccine Against Sars-Cov-2 Using CTL and HTL Epitopes

Laila zahra, Yaser Daanial Khan

Version 1 posted 21 April 2021

435

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1

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321 results in SARS-CoV-2, honeybee, propolis, Molecular docking, Structure activity relationship (SAR), Mpro inhibition in Keywords: SARS-CoV-2, honeybee, propolis, Molecular docking, Structure activity relationship (SAR), Mpro inhibition

Molecular Docking of Secondary Metabolites from Psidium guajava L. and Piper nigrum L. to COVID-19 Associated Receptors ACE2, Spike Protein RBD, and TMPRSS2

On the Generation of Novel Ligands for SARS-CoV-2 Protease and ACE2 Receptor via Constrained Graph Variational Autoencoders

Decoding the Proteome of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) for Cell-Penetrating Peptides Involved in Pathogenesis or Applicable as Drug Delivery Vectors

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

Quantum Machine Learning for Drug Discovery

Identification of Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

In Silico Analysis of Intermediate Hosts and Susceptible Animals of SARS-CoV-2

Virtual Screening of Naturally Occurring Antiviral Molecules for SARS-CoV-2 Mitigation Using Docking Tool on Multiple Molecular Targets

501Y.V2 Spike Protein Resists the Antibody in Atomistic Simulations

Subunit Vaccine Against Sars-Cov-2 Using CTL and HTL Epitopes

321 results in Keywords: SARS-CoV-2, honeybee, propolis, Molecular docking, Structure activity relationship (SAR), Mpro inhibition