Xun Wang

Interface-aware molecular generative framework for protein-protein interaction modulators

This paper introduces GENiPPI, a molecular generative framework for PPI interfaces, which generates novel compounds targeting PPIs and demonstrates its effectiveness in capturing interface-molecule relationships.

Exploring the conformational ensembles of protein-protein complex with transformer-based generative model

This study uses a transformer-based generative model to generate novel protein-protein complex conformations from molecular dynamics simulations, enhancing conformational exploration.