Dissimilar Ligands Bind in a Similar Fashion: A Guide to Ligand Binding-Mode Prediction with Application to CELPP Studies

Dissimilar Ligands Bind in a Similar Fashion: A Guide to Ligand Binding-Mode Prediction with Application to CELPP Studies

The molecular similarity principle has achieved great successes in the field of drug design/discovery. Existing studies have focused on similar ligands, while the behaviors of dissimilar ligands remain unknown. In this study, we developed an intercomparison strategy in order to compare the binding m...

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Bibliographic Details
Main Authors: Xianjin Xu, Xiaoqin Zou
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:International Journal of Molecular Sciences
Subjects:
molecular similarity principle
dissimilar ligand
binding-mode prediction
protein–ligand interactions
drug discovery
CELPP
Online Access:https://www.mdpi.com/1422-0067/22/22/12320

Internet

https://www.mdpi.com/1422-0067/22/22/12320

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