A Comparison between Enrichment Optimization Algorithm (EOA)-Based and Docking-Based Virtual Screening
Virtual screening (VS) is a well-established method in the initial stages of many drug and material design projects. VS is typically performed using structure-based approaches such as molecular docking, or various ligand-based approaches. Most docking tools were designed to be as global as possible,...
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-12-01
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Series: | International Journal of Molecular Sciences |
Subjects: | |
Online Access: | https://www.mdpi.com/1422-0067/23/1/43 |