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Large-scale FMO-MP2 calculations of the spike protein droplet model

Hideo Doi, Tatsuya Nakano, Kota Sakakura, Kazuki Akisawa, Koji Okuwaki, Yoshinori Hirano, Eiji Yamamoto, Kenji Yasuoka, Satoshi Ohshima, Takahiro Katagiri, Yuji Mochizuki

Version 1 posted 29 November 2024

66

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Biological and Medicinal Chemistry

Working Paper

A high-throughput assay for identifying diverse antagonists of the binding interaction between the ACE2 receptor and the dynamic spike proteins of SARS-CoV-2

Rachel Sammons, Amanda Bohanon, Anvinth Kowtha, Audrey Dejong, Eun Cho, Tamer Kaoud, Kevin Dalby

Version 1 posted 09 June 2022

231

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Biological and Medicinal Chemistry

Working Paper

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Dominic Narang, Matthew Balmer, D. Andrew James, Derek Wilson

Version 1 posted 18 December 2020

507

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Biological and Medicinal Chemistry

Working Paper

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Vaishali Chandel, Prem Prakash Sharma, Sibin Raj, Brijesh Rathi, Dhruv Kumar

Version 1 posted 14 May 2020

913

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1

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Theoretical and Computational Chemistry

Working Paper

Interaction Analyses on SARS-CoV-2 Spike Protein Based on Large-Scale Correlated Fragment Molecular Orbital Calculations

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka

Version 1 posted 11 September 2020

879

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Theoretical and Computational Chemistry

Working Paper

The Role of Folic Acid in the Management of Respiratory Disease Caused by COVID-19

Zahra Sheybani, Maryam Heydari Dokoohaki, Manica Negahdaripour, Mehdi Dehdashti, Hassan Zolghadr, Mohsen Moghadami, Seyed Masoom Masoompour, Amin Reza Zolghadr

Version 1 posted 30 March 2020

4,539

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20

Citations

Theoretical and Computational Chemistry

Working Paper

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in Silico Structure-Based Virtual Screening Approach

Shweta Choudhary, Yashpal S. Malik, Shailly Tomar

Version 2 posted 15 April 2020

4,947

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

SRUTHI UNNI, Snehal Aouti, Padmanabhan Balasundaram

Version 1 posted 27 April 2020

1,485

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5

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing for COVID-19 from FDA Approved and Experiment Stage Drugs by in Silico Methods with SARS CoV-2 Spike Protein

Sharanya CS, arun kumar, Abhithaj J, Sabu A, Haridas Madathilkovilakathu

Version 1 posted 20 May 2020

1,008

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3

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Biological and Medicinal Chemistry

Working Paper

Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses

Chiduru Watanabe, Yoshio Okiyama, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma

Version 3 posted 27 November 2020

1,027

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2

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Refine Search

28 results in Spike Protein in Keywords: Spike Protein

Large-scale FMO-MP2 calculations of the spike protein droplet model

A high-throughput assay for identifying diverse antagonists of the binding interaction between the ACE2 receptor and the dynamic spike proteins of SARS-CoV-2

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Interaction Analyses on SARS-CoV-2 Spike Protein Based on Large-Scale Correlated Fragment Molecular Orbital Calculations

The Role of Folic Acid in the Management of Respiratory Disease Caused by COVID-19

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in Silico Structure-Based Virtual Screening Approach

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

Drug Repurposing for COVID-19 from FDA Approved and Experiment Stage Drugs by in Silico Methods with SARS CoV-2 Spike Protein

Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses

28 results in Keywords: Spike Protein