Protein-Ligand Interactions - Groups

Bromodomain Variator Dataset

The dataset used in this paper for rational design of reprogramming compounds - variators. The protocol used to identify promising candidates for the reprogramming of affinity...

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PDBbind v2018

The PDBbind v2018 dataset is a refined set of 4,186 protein-ligand complexes with their experimentally measured Kd values.

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BindingDB: a web-accessible database of experimentally determined protein-lig...

BindingDB is a database of experimentally determined protein-ligand binding affinities.

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BindingDB

The dataset is used for compound-protein binding affinity prediction, and it contains 218,615 compound-protein pairs.

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Chembl: a large-scale bioactivity database for drug discovery

The Chembl database contains a large collection of bioactive molecules and their interactions with proteins.

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5 datasets found

Bromodomain Variator Dataset

PDBbind v2018

BindingDB: a web-accessible database of experimentally determined protein-lig...

BindingDB

Chembl: a large-scale bioactivity database for drug discovery