Jianyu Li
Scientist Computational Chemistry @CRELUX, a WuXi AppTec Company
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WORK HISTORY
Scientist Computational Chemistry @CRELUX, a WuXi AppTec Company
Munich, DE
Collaborate with a range of departments around the world, including medicinal chemistry, biophysics, crystallography, and screening groups, to integrate computational insights into project strategies- Design and perform virtual screening workflows to find promising hits for partners- Design and optimize small molecules using molecular modeling, docking, and simulation techniques.Apply computational chemistry, structure-based drug design and fragment-based drug design to support hit identification and optimization- Run molecular dynamics simulations to evaluate binding pose stability and target conformational changes- Apply knowledge of medicinal chemistry and cheminformatics to design and optimize (covalent) fragment library and HTS library.Analyze DEL screening data including NGS data decoding and enrichment analysis- Implement and maintain computational workflows and software for drug discovery projects- Prepare technical reports, visualizations, and presentations to communicatate findings to cross-functional teams- Stay up to date with advancements in computational drug design and data-driven drug discovery approaches.
EDUCATION
The University of Freiburg
Master of Science - MS, Pharmazeutische Wissenschaften
The University of Freiburg
Doctor of Philosophy - PhD, Computational Drug Design
China Pharmaceutical University
Bachelor of Science - BS, Pharmaceutical Preparation
ABOUT JIANYU LI
Passionate about computational drug discovery. Working on optimization of hit compounds identified by HTS/fragment screen/DEL screen,(covalent) fragment library design, work closely with chemists and biologists, propose ideas to prioritize synthesis efforts. Worked on identification and optimization of epigenetic inhibitors, PDB mining and database development for aromatic cages, development of pharmacophore library for reverse virtual screening, familiar with SBDD, FBDD, molecular modeling, docking, molecular dynamic simulation etc.
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