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Biological and Medicinal Chemistry

Working Paper

An Investigation into the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease Using Molecular Docking Study

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

Version 1 posted 17 April 2020

1,162

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Biological and Medicinal Chemistry

Working Paper

Spherical Neutralizing Aptamer Inhibits SARS-CoV-2 Infection

Miao Sun, Siwen Liu, Ting Song, Fude Chen, Jialu Zhang, Jiaao Huang, Shuang Wan, Yao Lu, Honglin Chen, Weihong Tan, Yanling Song, Chaoyong Yang

Version 1 posted 19 February 2021

549

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Theoretical and Computational Chemistry

Working Paper

Molecular Docking Studies of Aromatherapy Oils Against SARS-COV-2

Maurice De Jesus, Jokent Gaza, Hiyas A. Junio, Ricky Nellas

Version 1 posted 27 August 2020

986

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1

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Theoretical and Computational Chemistry

Working Paper

In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Quantum Mechanical Scoring

Claudio Cavasotto, Juan Di Filippo

Version 2 posted 18 May 2020

2,806

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3

Citations

Biological and Medicinal Chemistry

Working Paper

In Silico Drug Repositioning Against Human NRP1 to Block SARS-CoV-2 Host Entry

Seref Gul

Version 1 posted 21 December 2020

449

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Physical Chemistry

Working Paper

Special feature of COVID-19 in FMODB: Fragment molecular orbital calculations and interaction energy analysis of SARS-CoV-2 related proteins

Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe, Yusuke Kawashima, Yuma Handa, Ami Yamamoto, Kazuki Watanabe, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Teruki Honma

Version 1 posted 18 June 2021

419

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Physical Chemistry

Working Paper

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Binquan Luan, Tien Huynh

Version 1 posted 18 September 2020

540

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Theoretical and Computational Chemistry

Working Paper

Pharmacophore Analyses of SARS-CoV-2 Active Main Protease Inhibitors Using Pharmacophore Query and Docking Study

Muhammet Karaman

Version 1 posted 09 June 2020

665

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Theoretical and Computational Chemistry

Working Paper

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

Dina El Ahdab, Louis Lagardère, Theo Jaffrelot Inizan, Frédéric Célerse, Chengwen Liu, Olivier Adjoua, Luc-Henri Jolly, Nohad Gresh, Zeina Hobaika, Pengyu Ren, Richard G. Maroun, Jean-Philip Piquemal

Version 2 posted 02 June 2021

482

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Biological and Medicinal Chemistry

Working Paper

Targeting Virus-Host Interaction: An in Silico Approach to Develop Promising Inhibitors Against COVID-19

Jitendra Subhash Rane, Aroni Chatterjee, Rajni Khan, Abhijeet Kumar, Shashikant Ray

Version 1 posted 28 April 2020

834

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Refine Search

300 results in SARS-Cov-2 in Keywords: SARS-Cov-2

An Investigation into the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease Using Molecular Docking Study

Spherical Neutralizing Aptamer Inhibits SARS-CoV-2 Infection

Molecular Docking Studies of Aromatherapy Oils Against SARS-COV-2

In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Quantum Mechanical Scoring

In Silico Drug Repositioning Against Human NRP1 to Block SARS-CoV-2 Host Entry

Special feature of COVID-19 in FMODB: Fragment molecular orbital calculations and interaction energy analysis of SARS-CoV-2 related proteins

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Pharmacophore Analyses of SARS-CoV-2 Active Main Protease Inhibitors Using Pharmacophore Query and Docking Study

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

Targeting Virus-Host Interaction: An in Silico Approach to Develop Promising Inhibitors Against COVID-19

300 results in Keywords: SARS-Cov-2