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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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flexible docking

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4 results in Keywords: flexible docking

Theoretical and Computational Chemistry

Identification of Potential SARS-CoV-2 Inhibitors Using Flexible Docking Based Drug Repurposing of Antivirals

Luke Warrensford, Amanda Pittman, Fiona Kearns, Jordan Hale, Kira Astronskas, Steven Austin, Ryan Young, Louise Allcock, Sarah Dietrick, Bill Baker, Henry Lee Woodcock

Version 1 posted 09 May 2022

204

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Biological and Medicinal Chemistry

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Jonathan Fine, Janez Konc, Ram Samudralal, Gaurav Chopra

Version 1 posted 15 October 2018

557

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1

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Theoretical and Computational Chemistry

In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2’s Papain-like Protease

Tien Huynh, Wendy Cornell, Binquan Luan

Version 1 posted 03 November 2020

374

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Biological and Medicinal Chemistry

Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

Nicole E. Avalon, Jordan Nafie, Carolina De Marco Verissimo, Luke C. Warrensford, Sarah G. Dietrick, Amanda R. Pittman, Ryan M. Young, Fiona L. Kearns, Tracess Smalley, Jennifer M. Binning, John P. Dalton, Mark P. Johnson, H. Lee Woodcock, A. Louise Allcock, Bill J. Baker

Version 3 posted 12 May 2022

905

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