CLiBE specifications


Unique identifier OMICS_24639
Name CLiBE
Alternative name Computed Ligand Binding Energy
Restrictions to use None
Community driven No
Data access Browse
User data submission Not allowed
Maintained Yes


  • person_outline Yu Zong Chen

Publication for Computed Ligand Binding Energy

CLiBE citation


Prediction of kinase inhibitor binding affinity using energetic parameters

PMCID: 5267961
PMID: 28149052
DOI: 10.6026/97320630012172

[…] attributed to the binding of the polar ligand atoms to the protein to predict the experimental pKi values of a diverse set of 118 protein–ligand complexes that span more than seven protein families. CLiBE, a database of computed ligand binding energy (based on molecular mechanics force field) for ligand-receptor three dimensional structures have been developed and a linear correlation between the […]

CLiBE institution(s)
Department of Computational Science, National University of Singapore, Singapore, Singapore

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