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Theoretical and Computational Chemistry

Working Paper

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

1,112

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3

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Theoretical and Computational Chemistry

Working Paper

Molecular Docking Studies of Aromatherapy Oils Against SARS-COV-2

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

Version 1 posted 27 August 2020

1,070

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Inorganic Chemistry

Working Paper

Copper(II) Inhibition of the SARS-CoV-2 Main Protease

Roberto A. Garza-Lopez, John J. Kozak, Harry B. Gray

Version 1 posted 21 July 2020

855

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4

Citations

Theoretical and Computational Chemistry

Working Paper

Interaction Analyses on SARS-CoV-2 Spike Protein Based on Large-Scale Correlated Fragment Molecular Orbital Calculations

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka

Version 1 posted 11 September 2020

879

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Physical Chemistry

Working Paper

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Binquan Luan, Tien Huynh

Version 1 posted 18 September 2020

599

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Theoretical and Computational Chemistry

Working Paper

Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

Rituparno Chowdhury, Venkata Sai Sreyas Adury, Amal Vijay, Reman K. Singh, Arnab Mukherjee

Version 1 posted 18 May 2020

1,427

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2

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Biological and Medicinal Chemistry

Working Paper

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Vaishali Chandel, Prem Prakash Sharma, Sibin Raj, Brijesh Rathi, Dhruv Kumar

Version 1 posted 14 May 2020

913

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1

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Theoretical and Computational Chemistry

Working Paper

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

Shweta Choudhary, Yashpal S. Malik, Shailly Tomar

Version 2 posted 15 April 2020

4,947

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2

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Theoretical and Computational Chemistry

Working Paper

The Role of Folic Acid in the Management of Respiratory Disease Caused by COVID-19

Zahra Sheybani, Maryam Heydari Dokoohaki, Manica Negahdaripour, Mehdi Dehdashti, Hassan Zolghadr, Mohsen Moghadami, Seyed Masoom Masoompour, Amin Reza Zolghadr

Version 1 posted 30 March 2020

4,539

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20

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Organic Chemistry

Working Paper

Assembly and Application of a Low Budget Photo Reactor

Olov Wallner, Kirill Mamonov, Florian Ortis, Dana Michel, Maurice Michel

Version 1 posted 22 February 2021

281

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28 results in Spike protein in Keywords: Spike protein

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

Molecular Docking Studies of Aromatherapy Oils Against SARS-COV-2

Copper(II) Inhibition of the SARS-CoV-2 Main Protease

Interaction Analyses on SARS-CoV-2 Spike Protein Based on Large-Scale Correlated Fragment Molecular Orbital Calculations

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

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

The Role of Folic Acid in the Management of Respiratory Disease Caused by COVID-19

Assembly and Application of a Low Budget Photo Reactor

28 results in Keywords: Spike protein