[Role Description]
The Computational Chemistry Scientist will play a key role in shaping the company's computational chemistry strategy, selecting tools, and optimizing workflows from project inception to platform design. This role involves utilizing cutting-edge in silico screening techniques alongside ligand-based and structure-based design methods to drive advanced drug discovery across various modalities. A key aspect of the position is the ability to assess the strengths and limitations of both conventional computational chemistry tools and state-of-the-art AI methods, and to combine them optimally for each task to ensure the most effective approach. Collaboration with teams in AI, medicinal chemistry, and wet lab groups is essential to this role.

[Qualification]
- Education : Master¡¯s degree or higher in Computational Chemistry-related fields
- Experience : At least 3 years of relevant experience
- Computational chemistry : Experience in computational chemistry drug design and optimization approaches including ligand-based (pharmacophore modeling) and structure-based (docking based on X-ray/Cryo-EM structures and homology models) methods, an appreciation of MD simulation and free energy perturbation calculations, and the ability to effectively leverage predictive models (for potency and additional drug property features).
- AI background : Experience in chemical informatics and modern machine learning/deep learning techniques for drug discovery
- English Proficiency : Professional-level English communication skills is a plus
- Track Record : Experience in applying AI within drug discovery is advantageous
- Other skills: Strong strategic thinking, problem-solving, interpersonal, and communication skills. Ability to excel in a fast-paced, startup-like environment with a focus on innovation and adaptability

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