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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

1,030

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2

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Biological and Medicinal Chemistry

Working Paper

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

SRUTHI UNNI, Snehal Aouti, Padmanabhan Balasundaram

Version 1 posted 27 April 2020

1,433

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5

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Nanoscience

Working Paper

A Polyvalent Nano-Lectin Potently Neutralizes SARS-CoV-2 by Targeting Glycans on the Viral Spike Protein

Darshita Budhadev, James Hooper, Cheila Rocha, Inga Nehlmeier, Amy Madeleine Kempf, Markus Hoffmann, Nadine Krüger, Dejian Zhou, Stefan Pöhlmann, Yuan Guo

Version 1 posted 01 November 2022

187

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Theoretical and Computational Chemistry

Working Paper

Using wide biological pores to cap and contain the COVID-19 spike protein

G Sampath

Version 3 posted 27 September 2021

401

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Biological and Medicinal Chemistry

Working Paper

A high-throughput assay for identifying diverse antagonists of the binding interaction between the ACE2 receptor and the dynamic spike proteins of SARS-CoV-2

Rachel Sammons, Amanda Bohanon, Anvinth Kowtha, Audrey Dejong, Eun Cho, Tamer Kaoud, Kevin Dalby

Version 1 posted 09 June 2022

209

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Theoretical and Computational Chemistry

Working Paper

Wild Type and Omicron SARS-CoV-2 Spike Receptor Binding Domains Bind Similarly to the Human ACE2 Receptor: An MM-GBSA Study

Camryn Carter, Justin Airas, Carol A. Parish

Version 1 posted 07 January 2022

718

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1

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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

3,040

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2

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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

239

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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

406

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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

1,037

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3

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Refine Search

26 results in spike Protein in Keywords: spike Protein

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

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

A Polyvalent Nano-Lectin Potently Neutralizes SARS-CoV-2 by Targeting Glycans on the Viral Spike Protein

Using wide biological pores to cap and contain the COVID-19 spike protein

A high-throughput assay for identifying diverse antagonists of the binding interaction between the ACE2 receptor and the dynamic spike proteins of SARS-CoV-2

Wild Type and Omicron SARS-CoV-2 Spike Receptor Binding Domains Bind Similarly to the Human ACE2 Receptor: An MM-GBSA Study

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.

Assembly and Application of a Low Budget Photo Reactor

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

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

26 results in Keywords: spike Protein