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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

865

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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

898

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1

Citations

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

4,926

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2

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Biological and Medicinal Chemistry

Working Paper

In-silico Studies of Antimalarial-agent Artemisinin and Derivatives Portray More Potent Binding to Lys353 and Lys31-Binding Hotspots of SARS-CoV-2 Spike Protein than Hydroxychloroquine: Potential Repurposing of Artenimol for COVID-19.

Moussa SEHAILIA, Smain chemat

Version 1 posted 09 April 2020

3,088

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3

Citations

Biological and Medicinal Chemistry

Working Paper

SARS-CoV-2 Mutations in Brazil: From Genomics to Clinical Conditions

Luis Timmers, Julia Peixoto, Rodrigo Ducati, Jose Fernando Bachega, Leandro Mattos Pereira, Rafael Andrade Caceres, Fernanda Majolo, Guilherme Liberato Da Silva, Debora Bublitz Anton, Marcia Inês Goettert, Odir Antônio Dellagostin, Joao Henriques, Leder Xavier, Stefan Laufer

Version 1 posted 19 February 2021

704

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1

Citations

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

1,077

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Molecular Modelling Reveals Eight Novel Druggable Binding Sites in SARS-CoV-2’s Spike Protein

Ilke Ugur Marion, Antoine Marion

Version 2 posted 08 December 2020

1,079

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Biological and Medicinal Chemistry

Working Paper

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Dominic Narang, Matthew Balmer, D. Andrew James, Derek Wilson

Version 1 posted 18 December 2020

494

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Biological and Medicinal Chemistry

Review

A Nano size COVID-19: Human death and Asymptomatic mechanism

Kannan Chellapandian, G. Vidhyalakshmi, K. Karthika devi, S. Senthur selvi, M. Krishnaveni

Version 1 posted 16 July 2024

36

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Analytical Chemistry

Working Paper

A SARS-CoV-2 aptasensor based on electrochemical impedance spectroscopy and low-cost gold electrode substrates.

Perrine Lasserre, Banushan Balansethupathy, Vincent J. Vezza, Adrian Butterworth, Alexander MacDonald, Ewen O. Blair, Liam McAteer, Stuart Hannah, Andrew C. Ward, Paul A. Hoskisson, Alistair Longmuir, Steven J. Setford, Eoghan C. W. Farmer, Michael E. Murphy, Harriet Flynn, Damion K. Corrigan

Version 1 posted 15 October 2021

439

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Refine Search

27 results in Spike Protein in Keywords: Spike Protein

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

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

In-silico Studies of Antimalarial-agent Artemisinin and Derivatives Portray More Potent Binding to Lys353 and Lys31-Binding Hotspots of SARS-CoV-2 Spike Protein than Hydroxychloroquine: Potential Repurposing of Artenimol for COVID-19.

SARS-CoV-2 Mutations in Brazil: From Genomics to Clinical Conditions

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

Molecular Modelling Reveals Eight Novel Druggable Binding Sites in SARS-CoV-2’s Spike Protein

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

A Nano size COVID-19: Human death and Asymptomatic mechanism

A SARS-CoV-2 aptasensor based on electrochemical impedance spectroscopy and low-cost gold electrode substrates.

27 results in Keywords: Spike Protein