Dataset - NFDI4Chem Search Service

Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs o... Dataset

Binding affinities of seven drug molecules (G1-G7) towards a common receptor (cucurbit[8]uril, CB8) were estimated from molecular dynamics (MD) simulations in the scope of the...
- HTML

You can also access this registry using the API (see API Docs).