Virtual Screening in Search for a Chemical Probe for Angiotensin-Converting Enzyme 2 (ACE2)

Virtual Screening in Search for a Chemical Probe for Angiotensin-Converting Enzyme 2 (ACE2)

We elaborate new models for ACE and ACE2 receptors with an excellent prediction power compared to previous models. We propose promising workflows for working with huge compound collections, thereby enabling us to discover optimized protocols for virtual screening management. The efficacy of elaborat...

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Bibliographic Details
Main Authors: Iryna O. Kravets, Dmytro V. Dudenko, Alexander E. Pashenko, Tatiana A. Borisova, Ganna M. Tolstanova, Sergey V. Ryabukhin, Dmitriy M. Volochnyuk
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
virtual screening
drug discovery
molecular docking
angiotensin-converting enzyme 2
ACE2
SARS-CoV-2
Online Access:https://www.mdpi.com/1420-3049/26/24/7584

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https://www.mdpi.com/1420-3049/26/24/7584

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