Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19

Debarati Paul; Debadrita Basu; Shubhra Ghosh Dastidar

doi:10.1007/s00894-021-04732-1

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JOURNAL ARTICLE

Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19

Debarati Paul Debadrita Basu Shubhra Ghosh Dastidar

Year: 2021 Journal: Journal of Molecular Modeling Vol: 27 (5)Pages: 128-128 Publisher: Springer Science+Business Media

DOI: 10.1007/s00894-021-04732-1

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Keywords:

Cangrelor Drug repositioning Computational biology Drug Drug discovery Chemistry Population Small molecule Virtual screening Ligand (biochemistry) In silico Combinatorial chemistry Pharmacology Biology Medicine Receptor Biochemistry

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Topics

Computational Drug Discovery Methods

Physical Sciences → Computer Science → Computational Theory and Mathematics

Synthesis and biological activity

Physical Sciences → Chemistry → Organic Chemistry

SARS-CoV-2 and COVID-19 Research

Health Sciences → Medicine → Infectious Diseases

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