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9 results in Keywords: main protease Mpro

Tuning Proton Transfer Thermodynamics in SARS-Cov-2 Main Protease: Implications for Catalysis and Inhibitor Design

Laura Zanetti-Polzi, Micholas Smith, Chris Chipot, James C. Gumbart, Diane L. Lynch, Anna Pavlova, Jeremy C. Smith, Isabella Daidone

Version 2 posted 12 January 2021

882

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel in Silico Method

Milan Sencanski, Vladimir Perovic, Snezana Pajovic, Miroslav Adzic, Slobodan Paessler, Sanja Glisic

Version 2 posted 08 July 2020

2,164

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Biological and Medicinal Chemistry

Working Paper

Drug Binding Dynamics of the Dimeric SARS-CoV-2 Main Protease, Determined by Molecular Dynamics Simulation

Teruhisa S. KOMATSU, Noriaki Okimoto, Yohei M. KOYAMA, Yoshinori HIRANO, Gentaro MORIMOTO, Yousuke OHNO, Makoto Taiji

Version 2 posted 10 August 2020

1,170

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Theoretical and Computational Chemistry

Working Paper

SARS-CoV-2 Main Protease: A Molecular Dynamic Study

Dimas Suárez, Natalia Díaz

Version 1 posted 27 May 2020

689

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Biological and Medicinal Chemistry

Working Paper

Computational Studies to Identify Potential Main Protease Inhibitors for SARS-CoV-2

M. Elizabeth Sobhia, Ketan Ghosh, Srikanth Sivangula, Harmanpreet Singh, Siva Kumar

Version 2 posted 13 July 2020

681

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Biological and Medicinal Chemistry

Working Paper

Rationale Based Selection and Prioritization of Antiviral Drugs for COVID-19 Management

Rakesh Joshi, Ashok P. Giri, Mahesh J. Kulkarni, mahesh gupta, Savita Verma, Dhruva Chaudhary, Narendra Deshmukh, Anita Chugh

Version 1 posted 09 June 2020

886

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Citations

Biological and Medicinal Chemistry

Working Paper

Computational Discovery of Small Drug-like Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease

Alexander M. Andrianov, Yuri V. Kornoushenko, Anna D. Karpenko, Ivan P. Bosko, Alexander Tuzikov

Version 1 posted 12 May 2020

913

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Biological and Medicinal Chemistry

Working Paper

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Daniel J. McKay, Tom Kurtzman

Version 1 posted 13 May 2020

740

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Theoretical and Computational Chemistry

Working Paper

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

Theo Jaffrelot Inizan, Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu, Pengyu Ren, Matthieu Montes, Nathalie Lagarde, Louis Lagardère, Pierre Monmarché, Jean-Philip Piquemal

Version 6 posted 28 January 2021

2,087

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9 results in main protease Mpro in Keywords: main protease Mpro

Tuning Proton Transfer Thermodynamics in SARS-Cov-2 Main Protease: Implications for Catalysis and Inhibitor Design

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel in Silico Method

Drug Binding Dynamics of the Dimeric SARS-CoV-2 Main Protease, Determined by Molecular Dynamics Simulation

SARS-CoV-2 Main Protease: A Molecular Dynamic Study

Computational Studies to Identify Potential Main Protease Inhibitors for SARS-CoV-2

Rationale Based Selection and Prioritization of Antiviral Drugs for COVID-19 Management

Computational Discovery of Small Drug-like Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

9 results in Keywords: main protease Mpro