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Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

Tesia Bobrowski, Vinicius Alves, Cleber C. Melo-Filho, Daniel Korn, Scott S. Auerbach, Charles Schmitt, Eugene Muratov, Alexander Tropsha

Version 1 posted 22 April 2020

1,672

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3

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing Against SARS-CoV-2 Using E-Pharmacophore Based Virtual Screening and Molecular Docking with Main Protease as the Target

arun kumar, Sharanya C.S, Abhithaj J, Dileep Francis, Sadasivan C

Version 1 posted 28 April 2020

1,138

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Biological and Medicinal Chemistry

Working Paper

Virtual Screening Enabled Selection of Antiviral Agents Against Covid-19 Disease Targeting Coronavirus Endoribonuclease NendoU: Plausible Mechanistic Interventions in the Treatment of New Virus Strain

Gaurav Joshi, Ramarao Poduri

Version 2 posted 20 May 2020

1,453

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Biological and Medicinal Chemistry

Working Paper

Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Version 1 posted 29 April 2021

1,014

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Biological and Medicinal Chemistry

Working Paper

Generating Free-energy Landscapes and Mapping Conformational Transition Pathways from cryo-EM Images using a Deep Isometric Autoencoder

Kimihiro Yamazaki, Mutsuyo Wada, Yuichiro Wada, Atsushi Tokuhisa, Kento Ohga, Akira Nakagawa, Yoshinobu Akinaga, Yoko Sasakura, Takashi Katoh, Shigeyuki Matsumoto, Yasushi Okuno

Version 2 posted 05 March 2025

411

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Biological and Medicinal Chemistry

Working Paper

Target-directed dynamic combinatorial chemistry affords inhibitors of Nsp10 as potential antivirals against SARS-CoV-2

Ravindra P. Jumde, Gwenaëlle Jézéquel, Margarida Saramago, Nicolas Frank, Sebastian Adam, Marta V. Cunha, Chantal Bader, Antonia P. Gunesch, Natalie M. Köhler, Sandra Johannsen, Thomas Pietschmann, Rute G. Matos, Rolf Müller, Cecilia M. Arraiano, Anna K. H. Hirsch

Version 1 posted 31 January 2023

340

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Biological and Medicinal Chemistry

Working Paper

Powerful avidity with a limited valency for virus-attachment blockers on DC SIGN: Combining chelation and statistical rebinding with structural plasticity of the receptor

Vanessa Porkolab, Martin Lepšík, Stefania Ordanini, Alexander St John, Aline Le Roy, Michel Thépaut, Emanuele Paci, Christine Ebel, Anna Bernardi, Franck FIESCHI

Version 2 posted 09 August 2022

442

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2

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Theoretical and Computational Chemistry

Working Paper

Wild Type and Omicron SARS-CoV-2 Spike Receptor Binding Domains Bind Similarly to the Human ACE2 Receptor: An MM-GBSA Study

Camryn Carter, Justin Airas, Carol A. Parish

Version 1 posted 07 January 2022

780

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1

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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

146

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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

258

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310 results in Sars-Cov-2 in Keywords: Sars-Cov-2

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

Drug Repurposing Against SARS-CoV-2 Using E-Pharmacophore Based Virtual Screening and Molecular Docking with Main Protease as the Target

Virtual Screening Enabled Selection of Antiviral Agents Against Covid-19 Disease Targeting Coronavirus Endoribonuclease NendoU: Plausible Mechanistic Interventions in the Treatment of New Virus Strain

Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations

Generating Free-energy Landscapes and Mapping Conformational Transition Pathways from cryo-EM Images using a Deep Isometric Autoencoder

Target-directed dynamic combinatorial chemistry affords inhibitors of Nsp10 as potential antivirals against SARS-CoV-2

Powerful avidity with a limited valency for virus-attachment blockers on DC SIGN: Combining chelation and statistical rebinding with structural plasticity of the receptor

Wild Type and Omicron SARS-CoV-2 Spike Receptor Binding Domains Bind Similarly to the Human ACE2 Receptor: An MM-GBSA Study

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

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

310 results in Keywords: Sars-Cov-2