#1301Genetics & Molecular BiologyFront Page22 January 2026
The Hidden Landscape and the Evolution of Protein pKa Prediction
Researchers have developed a hybrid framework combining molecular dynamics and deep learning to predict the electrical charges of protein residues with higher accuracy. By utilising the general PKAD-2 data set, this advancement aims to aid broad drug discovery efforts by revealing the reactive properties of complex enzymes.
By Song Z, Wang R, Jiao X, Huang Z.
