A Review on Parallel Virtual Screening Softwares for High-Performance Computers

A Review on Parallel Virtual Screening Softwares for High-Performance Computers

Drug discovery is the most expensive, time-demanding, and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should have high-affinity binding and specificity for a target asso...

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Bibliographic Details
Main Authors: Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Stefano Markidis
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Pharmaceuticals
Subjects:
computational drug discovery
virtual screening
molecular docking
chemical space
parallelization
high-performance computers and accelerators
Online Access:https://www.mdpi.com/1424-8247/15/1/63

Internet

https://www.mdpi.com/1424-8247/15/1/63

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