PSnpBind: a database of mutated binding site protein–ligand complexes constructed using a multithreaded virtual screening workflow

A Ammar, R Cavill, C Evelo, E Willighagen - Journal of Cheminformatics, 2022 - Springer
A key concept in drug design is how natural variants, especially the ones occurring in the
binding site of drug targets, affect the inter-individual drug response and efficacy by altering …

PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity

A Ammar, R Cavill, C Evelo, E Willighagen - Journal of Cheminformatics, 2023 - Springer
Protein mutations, especially those which occur in the binding site, play an important role in
inter-individual drug response and may alter binding affinity and thus impact the drug's …