PremPLI - Predicting the Effects of Mutations on

Protein-Ligand Interactions

PremPLI predicts the effects of single mutations on protein-ligand interactions by calculating the binding affinity changes quantitatively. It can be used for guiding the design of ligand-binding proteins, identifying and understanding disease driver mutations, and finding potential resistance mutations for different drugs. The 3D structure of a protein-ligand complex is required for performing the prediction.

Step1 - Select Protein-Ligand Complex

Example: 1OSS
     Asymmetric Unit

      Example File


Sun T, Chen Y, Wen Y, zhu Z, Li M. PremPLI: a machine learning model for predicting the effects of missense mutations on protein-ligand Interactions. Commun Biol . PMID: 34799678

School of Biology & Basic Medical Sciences, Soochow University
199 Ren-Ai Road, Suzhou, Jiangsu, 215123 P.R. China