Publications 2024 11-19 Preprint | Enhancing Enzyme Activity with Mutation Combinations Guided by Few-shot Learning and Causal Inference 11-11 Nature Methods | EvoAI enables extreme compression and reconstruction of the protein sequence space 11-06 Journal of Cheminformatics | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 10-08 Nature Communications | Coronavirus envelope protein activates TMED10-mediated unconventional secretion of inflammatory factors 07-24 Nature | Molecular basis of human noradrenaline transporter reuptake and inhibition 05-10 Journal of Chemical Theory and Computation | PointGAT: A Quantum Chemical Property Prediction Model Integrating Graph Attention and 3D Geometry 04-10 Biomacromolecules | Enhancing Protein Solubility via Glycosylation: From Chemical Synthesis to Machine Learning Predictions 04-08 Journal of Chemical Information and Modeling | DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation 01-03 Briefings in Bioinformatics | Protein-DNA binding sites prediction based on pre-trained protein language model and contrastive learning 2023 10-18 eLife | H3-OPT: Accurate prediction of CDR-H3 loop structures of antibodies with deep learning 09-07 Cell Reports Physical Science | Coupling of alkynes and aryl halides with nickel-catalyzed Sonogashira reactions 2022 07-14 Tetrahedron Chem | Nickel-catalyzed enantioselective domino Heck/Sonogashira coupling for construction of C(sp)-C(sp3) bond-substituted quaternary carbon centers 01-12 Journal of Virology | Susceptibilities of Human ACE2 Genetic Variants in Coronavirus Infection 2021 11-25 Organic Chemistry Frontiers | Elucidating the selectivity of dyotropic rearrangements of β-lactones: a computational survey 11-12 Chemical Science | Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application 09-29 ACS Catalysis | Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis 04-02 Science Immunology | Pharmacological targeting of NLRP3 deubiquitination for treatment of NLRP3-associated inflammatory diseases 03-12 ACS Catalysis | Cooperative N-heterocyclic Carbene and Iridium Catalysis Enables Stereoselective and Regiodivergent [3 + 2] and [3 + 3] Annulation Reactions