Jinsen Li

Circumventing the synthesizability problem in generative molecular design

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: Geometric deep learning for interpretable prediction of protein-DNA binding specificity

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

Deep DNAshape: Predicting DNA shape considering extended flanking regions using a deep learning method

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.