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Biological and Medicinal Chemistry

(2)

Chemical Engineering and Industrial Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Working Paper

(4)

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Over 3 years

(4)

Keywords

Docking approaches

Authors

4 results in Keywords: Docking approaches

Biological and Medicinal Chemistry

Repurposing of SARS Inhibitors Against COVID 19

Priyanka Rajbhar, Dikshant Singh, Ruchi Yadav

Version 1 posted 24 April 2020

744

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1

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Theoretical and Computational Chemistry

Discovery of Potent Covid-19 Main Protease Inhibitors Using Machine Learning Based Virtual Screening Strategy

Muthu Kumar T, Rohini K, Nivya James, Shanthi V, Ramanathan Karuppasamy

Version 1 posted 10 April 2020

1,226

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Theoretical and Computational Chemistry

A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

Oscar Méndez-Lucio, Mazen Ahmad, Ehecatl Antonio del Rio-Chanona, Jörg Kurt Wegner

Version 1 posted 20 April 2021

5,397

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1

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Theoretical and Computational Chemistry

Efficient Exploration of Chemical Space with Docking and Deep-Learning

Ying Yang, Kun Yao, Matthew P. Repasky, Karl Leswing, Robert Abel, Brian Shoichet, Steven Jerome

Version 1 posted 04 March 2021

4,878

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2

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