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Theoretical and Computational Chemistry

Working Paper

Integrated Docking and Enhanced Sampling Based Selection of Repurposing Drugs for SARS-CoV-2 by Targeting Host Dependent Factors

Amit Kumawat, Sadanandam Namsani, Debabrata Pramanik, Sudip Roy, Jayant K. Singh

Version 1 posted 15 December 2020

590

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Organometallic Chemistry

Working Paper

Theoretical Evaluation of Bortezomib and Other Boron-Containing Compounds as Inhibitors of SARS-CoV-2 Main Protease

Ivan Ricardo Vega Valdez, José Martín Santiago-Quintana, MELVIN ROSALEZ, Eunice Farfan, Marvin A. Soriano-Ursua

Version 1 posted 31 March 2020

1,131

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2

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing of Approved Drugs Elbasvir, Ledipasvir, Paritaprevir, Velpatasvir, Antrafenine and Ergotamine for Combating COVID19

Vishal Mevada, Pravin Dudhagara, Himani Gandhi, Nilam Vaghamshi, Urvisha Beladiya, Rajesh Patel

Version 2 posted 21 April 2020

2,067

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6

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Physical Chemistry

Working Paper

How Does the Novel Coronavirus Interact with the Human ACE2 Enzyme? A Thermodynamic Answer

Jones de Andrade, Paulo Fernando Bruno Gonçalves, Paulo Augusto Netz

Version 2 posted 27 May 2020

976

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2

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Biological and Medicinal Chemistry

Working Paper

The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19

Robert Hoffman, Robert S. Kania, Mary A. Brothers, Jay F. Davies, Rose A. Ferre, Ketan S. Gajiwala, Mingying He, Robert Jeff Hogan, Kirk Kozminski, Lilian Y. Li, Jonathan W. Lockner, Jihong Lou, Michelle T. Marra, Lennert J. Mitchell J. Mitchell Jr, Brion W. Murray, James A. Nieman, Stephen Noell, Simon P. Planken, Thomas Rowe, Kevin Ryan, George J. Smith III, James E. Solowiej, Claire M. Steppan, Barbara Taggart

Version 1 posted 22 July 2020

2,227

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1

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Biological and Medicinal Chemistry

Working Paper

COVID19 Approved Drug Repurposing: Pocket Similarity Approach

Mohamed Fadlalla

Version 1 posted 28 July 2020

590

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Biological and Medicinal Chemistry

Working Paper

A Generative Deep Learning Approach for the Discovery of SARS CoV2 Protease Inhibitors

Noor Shaker, Mohamed Abou-Zleikha, Mubarak AlAmri, Youcef Mehellou

Version 1 posted 23 April 2020

1,472

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2

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Biological and Medicinal Chemistry

Working Paper

Gliptin Repurposing for COVID-19

Matthew Groves, Alexander Domling, Angel Jonathan Ruiz Moreno, Atilio Reyes Romero, Constantinos Neochoritis, Marco Velasco-Velázquez

Version 1 posted 15 April 2020

1,098

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2

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Biological and Medicinal Chemistry

Working Paper

Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitors

The COVID Moonshot Consortium, John Chodera, Alpha Lee, Nir London, Frank von Delft

Version 2 posted 19 October 2021

2,380

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4

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Biological and Medicinal Chemistry

Working Paper

Virtual screening of knottin and defensin peptides perceives hits against the SARS CoV-2 RBD domain and hACE2 interaction

Nitesh Tripathi, Anupam Bandyopadhyay

Version 1 posted 18 January 2023

252

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1

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Refine Search

19 results in COVID19 in Keywords: COVID19

Integrated Docking and Enhanced Sampling Based Selection of Repurposing Drugs for SARS-CoV-2 by Targeting Host Dependent Factors

Theoretical Evaluation of Bortezomib and Other Boron-Containing Compounds as Inhibitors of SARS-CoV-2 Main Protease

Drug Repurposing of Approved Drugs Elbasvir, Ledipasvir, Paritaprevir, Velpatasvir, Antrafenine and Ergotamine for Combating COVID19

How Does the Novel Coronavirus Interact with the Human ACE2 Enzyme? A Thermodynamic Answer

The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19

COVID19 Approved Drug Repurposing: Pocket Similarity Approach

A Generative Deep Learning Approach for the Discovery of SARS CoV2 Protease Inhibitors

Gliptin Repurposing for COVID-19

Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitors

Virtual screening of knottin and defensin peptides perceives hits against the SARS CoV-2 RBD domain and hACE2 interaction

19 results in Keywords: COVID19