Jinsen Li

This paper introduces a model-guided virtual screening pipeline to improve synthesizability in generative drug design by combining SBDD models with chemical similarity search.

DeepPBS predicts protein-DNA binding specificity using geometric deep learning, showing alignment with experimental mutagenesis data and enabling analysis of molecular dynamics simulations.

This paper introduces Deep DNAshape, a deep learning method that predicts DNA shape by considering extended flanking regions, improving prediction accuracy and providing insights into protein-DNA binding mechanisms.