Sep 2026
Predicting the Post-translational Modification Effects on Protein−Ligand Interactions via End-Point Binding Free Energy Calculation: Database Creation and Strategy Optimization
The experimentally validated PTM-mediated Ligand Activity Change (PLAC) dataset is curate and finds that the interaction-affecting PTMs usually occur spatially closer to ligands than the interaction-neutral ones.
Zi-Hao Wang, Xiao-Wei Xu, Zhe Wang et al.
· Journal of Medicinal Chemist... · 0 citations