岗位描述
【Key Responsibilities】
<p>Design and implement computational strategies to support hit identification, hit-to-lead, and lead optimization stages of small molecule drug discovery.</p> <p>Collaborate closely with medicinal chemists, biologists, DMPK and AI/ML scientists to integrate computational insights into SAR design.</p> <p>Apply a range of modeling techniques including structure-based drug design (SBDD), ligand-based modeling, molecular dynamics, and cheminformatics.</p> <p>Analyze SAR data and generate predictive models to guide design hypotheses.</p> <p>Contribute to target assessment and binding site evaluation for new project opportunities.</p> <p>Maintain and develop internal modeling tools and workflows, and evaluate emerging computational technologies.</p> <p>Communicate results and recommendations clearly in team meetings and project reports.</p>
【Qualifications】
<p>Ph.D. in computational chemistry, medicinal chemistry, structural biology, or a related discipline, with >5 years of industry experience in CADD.</p> <p>Strong expertise in molecular modeling tools (e.g., Schrodinger Suite, MOE, AlphaFold2, etc.) and scripting languages (e.g., Python, R).</p> <p>Experience in applying SBDD and ligand-based approaches in real-world drug discovery projects.</p> <p>Familiarity with machine learning applications in drug design is a plus.</p> <p>Excellent interpersonal and communication skills, and a collaborative mindset.</p>