XianyuBiotech @bobshan2010
Xianyu provides a full range of molecular simulation and computational services, supporting scientific research and new drug development. deepmice.com Shijiazhuang, Hebei, China Joined April 2011-
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Xianyu works with pharmaceutical companies, and research institutions. We provide: Custom Services: End-to-end modeling support: from molecular docking to quantum-level analysis. Joint Research: Collaborative research on innovative mechanisms, targets, and lead compounds.
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Publications: SS-GNN: A Simple-Structured Graph Neural Network for Affinity Prediction, ACS Omega Discovery of Potent Selective HDAC6 Inhibitors, Journal of Chemical Information and Modeling Discovery of E0199: A Dual NaV/KV7 Channel Compound, Journal of Pharmaceutical Analysis.
Representative Achievements: Selective HDAC6 inhibitor identified in collaboration with Zhejiang University. Dual-target neuropathic pain compound discovered with Hebei Medical University. Anti-tumor leads and iron metabolism inhibitors explored with Hebei Normal University.
Xianyu has accumulated valuable research outcomes in the field of AI-assisted drug discovery: Applied deep learning for protein–ligand binding affinity prediction. Participated in the discovery of multiple lead compounds.
Our services combine AI models with classical simulation tools to deliver efficient, reliable, and interpretable results for pharmaceutical and life science projects. Our open-source project on GitHub: 🔗 github.com/xianyuco
Xianyu Digital Biotechnology, provides a full range of molecular simulation and computational services, supporting scientific research and new drug development.Service areas include: Molecular Docking,Molecular Dynamics Simulation, Quantum Chemistry Calculations.
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