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Theoretical and Computational Chemistry

Working Paper

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Abd Al-Aziz A. Abu-Saleh, Ibrahim Awad, Arpita Yadav, Raymond A. Poirier

Version 1 posted 25 June 2020

615

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Biological and Medicinal Chemistry

Working Paper

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

Vijay Kumar Vishvakarma, Kamlesh Kumari, PRASHANT SINGH

Version 1 posted 17 August 2020

560

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3

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Theoretical and Computational Chemistry

Working Paper

In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

Shilpa Sharma, Shashank Deep

Version 1 posted 29 April 2020

1,091

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Druggability for COVID19 – in Silico Discovery of Potential Drug Compounds Against Nucleocapsid (N) Protein of SARS-CoV-2

Manisha Ray, Saurav Sarkar, Surya Narayan Rath

Version 1 posted 01 June 2020

722

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Biological and Medicinal Chemistry

Working Paper

Possibility of HIV-1 Protease Inhibitors-Clinical Trial Drugs as Repurposed Drugs for SARSCoV-2 Main Protease: A Molecular Docking, Molecular Dynamics and Binding Free Energy Simulation Study

Ancy Iruthayaraj, Sivanandam Magudeeswaran, Kumaradhas Poomani

Version 1 posted 28 April 2020

689

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Biological and Medicinal Chemistry

Working Paper

In Silico Screening of Naturally Occurring Coumarin Derivatives for the Inhibition of the Main Protease of SARS-CoV-2

Sona Lyndem, Sharat Sarmah, Sourav Das, Atanu Singha Roy

Version 1 posted 05 May 2020

1,088

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy Estimations

Jiban Jyoti Dash, Priyanka Purohit, Jules Tshishimbi Muya, Biswa Ranjan Meher

Version 1 posted 02 June 2020

819

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Biological and Medicinal Chemistry

Working Paper

In Silico Studies of the Biomolecular Interactions Between Natural Products and SARS-CoV-2 Main Protease

Wilmar Puma-Zamora, Fabian Jimenez, Jesus Antonio Alvarado-Huayhuaz, Gerson Cordova-Serrano, Pierre-Marie Allard, Mariano Prado Acosta, Gustavo E. Olivos-Ramirez, Héctor Condori-Alagón, Ihosvany Camps

Version 1 posted 08 October 2020

581

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Theoretical and Computational Chemistry

Working Paper

Covalent and Non-Covalent Binding Free Energy Calculations for Peptidomimetic Inhibitors of SARS-CoV-2 Main Protease

Ernest Awoonor-Williams, Abd Al-Aziz A. Abu-Saleh

Version 1 posted 26 November 2020

711

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Theoretical and Computational Chemistry

Working Paper

Revealing the Molecular Mechanisms of Proteolysis of SARS-CoV-2 Mpro from QM/MM Computational Methods.

Katarzyna Swiderek, Vicent Moliner

Version 1 posted 13 May 2020

1,014

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Refine Search

20 results in SARS-CoV-2 MPro in Keywords: SARS-CoV-2 MPro

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

Druggability for COVID19 – in Silico Discovery of Potential Drug Compounds Against Nucleocapsid (N) Protein of SARS-CoV-2

Possibility of HIV-1 Protease Inhibitors-Clinical Trial Drugs as Repurposed Drugs for SARSCoV-2 Main Protease: A Molecular Docking, Molecular Dynamics and Binding Free Energy Simulation Study

In Silico Screening of Naturally Occurring Coumarin Derivatives for the Inhibition of the Main Protease of SARS-CoV-2

Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy Estimations

In Silico Studies of the Biomolecular Interactions Between Natural Products and SARS-CoV-2 Main Protease

Covalent and Non-Covalent Binding Free Energy Calculations for Peptidomimetic Inhibitors of SARS-CoV-2 Main Protease

Revealing the Molecular Mechanisms of Proteolysis of SARS-CoV-2 Mpro from QM/MM Computational Methods.

20 results in Keywords: SARS-CoV-2 MPro