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Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.

Chamandi Dampalla, Athri D. Rathnayake, Krishani Dinali Perera, Abdul-Rahman M. Jesri, Harry Nhat Nguyen, Matthew J. Miller, Hayden A. Thurman, Jian Zheng, Maithri Kashipathy, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Yunjeong Kim, William C. Groutas, Kyeong-Ok Chang, Chamandi Shashikala Dampalla Gamachchige

Version 1 posted 15 June 2021

475

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Theoretical and Computational Chemistry

Working Paper

Exploring the Mechanism of the Envelope Protein of SARS-CoV-2: A Molecular Dynamics Study

Sanika Dolas, Gaurav Sharma

Version 1 posted 06 November 2023

204

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Biological and Medicinal Chemistry

Working Paper

Vertical flow immunoassay based on carbon black nanoparticles for the detection of IgG against SARS-CoV-2 Spike-protein in human serum: proof-of-concept

Mariya Kropaneva, Pavel Khramtsov, Mariya Bochkova, Sergey Lazarev, Dmitriy Kiselkov, Mikhail Rayev

Version 1 posted 29 June 2023

130

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2

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Biological and Medicinal Chemistry

Working Paper

Naringenin-7-O-glucoside: Targeting SERPINE1, MMP7, and MMP1 for COVID-19 Lung Pathology and Immune Modulation

Vibha Mishra, Shivangi Agrawal, Divya Malik, Ekta Pathak, Rajeev Mishra

Version 1 posted 28 December 2023

227

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Biological and Medicinal Chemistry

Working Paper

Unlocking the Genetic Mysteries of SARS-CoV-2: A Deep Dive into the Sequence, Structure, and Dynamics of Mpro Mutations

MOHD KHAN

Version 1 posted 27 December 2023

101

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Biological and Medicinal Chemistry

Working Paper

Active learning guided drug design lead optimization based on relative binding free energy modeling

Filipp Gusev, Evgeny Gutkin, Maria G. Kurnikova, Olexandr Isayev

Version 1 posted 11 July 2022

2,249

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Computational Estimation of Potential Inhibitors from the Known Drugs against the Main Protease of SARS-CoV-2

Nguyen Minh Tam, Pham Minh Quan, Nguyen Xuan Ha, Pham Cam Nam, Huong Thi Thu Phung

Version 1 posted 25 February 2021

445

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Theoretical and Computational Chemistry

Working Paper

Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

Sergio Marti, Kemel Arafet, Alessio Lodola, Adrian Mulholland, Katarzyna Swiderek, Vicent Moliner

Version 1 posted 11 August 2021

349

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8 results in SARS-CoV-2 Mpro inhibitors, COVID-19 in Keywords: SARS-CoV-2 Mpro inhibitors, COVID-19

Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.

Exploring the Mechanism of the Envelope Protein of SARS-CoV-2: A Molecular Dynamics Study

Vertical flow immunoassay based on carbon black nanoparticles for the detection of IgG against SARS-CoV-2 Spike-protein in human serum: proof-of-concept

Naringenin-7-O-glucoside: Targeting SERPINE1, MMP7, and MMP1 for COVID-19 Lung Pathology and Immune Modulation

Unlocking the Genetic Mysteries of SARS-CoV-2: A Deep Dive into the Sequence, Structure, and Dynamics of Mpro Mutations

Active learning guided drug design lead optimization based on relative binding free energy modeling

Computational Estimation of Potential Inhibitors from the Known Drugs against the Main Protease of SARS-CoV-2

Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

8 results in Keywords: SARS-CoV-2 Mpro inhibitors, COVID-19