Publications 2024 05-13 PointGAT: A Quantum Chemical Property Prediction Model Integrating Graph Attention and 3D Geometry 04-27 Enhancing Protein Solubility via Glycosylation: From Chemical Synthesis to Machine Learning Predictions 04-15 DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation 2023 08-21 H3-OPT: Accurate prediction of CDR-H3 loop structures of antibodies with deep learning 06-28 Protein-DNA binding sites prediction based on pre-trained protein language model and contrastive learning 2022 07-14 Nickel-catalyzed enantioselective domino Heck/Sonogashira coupling for construction of C(sp)-C(sp3) bond-substituted quaternary carbon centers 01-12 Susceptibilities of Human ACE2 Genetic Variants in Coronavirus Infection 2021 11-25 Elucidating the selectivity of dyotropic rearrangements of β-lactones: a computational survey 11-12 Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application 09-29 Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis 04-02 Pharmacological targeting of NLRP3 deubiquitination for treatment of NLRP3-associated inflammatory diseases 03-12 Cooperative N-heterocyclic Carbene and Iridium Catalysis Enables Stereoselective and Regiodivergent [3 + 2] and [3 + 3] Annulation Reactions