英科智能有限公司

About Us: Insilico Medicine is a leading biotech company leveraging the power of AI to accelerate drug discovery and development, dedicated to developing innovative solutions for unmet medical needs. The company is now having 6 human clinical trials and has nominated more preclinical candidates for a variety of diseases for novel and challenging targets. We are now seeking a highly motivated and talented Computational Chemistry/CADD Scientist with significant expertise in small molecule drug discovery to join our team. Job Description: The successful candidate will have extensive experience and demonstrated success in various aspects of hit discovery and optimization, applying state-of-the-art computational chemistry techniques. The ideal candidate will have a strong background in cheminformatics approaches for small molecule design and a solid understanding of chemical synthesis and/or biological experiments. Key Responsibilities: - Collaborate closely with team members to support drug discovery projects at various stages from a CADD perspective, including but not limited to virtual screening, hit triage, and rational design. - Apply computational chemistry methods to identify, optimize, and develop drug candidates. - Utilize CADD techniques such as structure-based drug discovery, virtual screening of ultra-large compound libraries, molecular dynamics (MD) simulations, chemical space analysis and clustering, and druggability assessment. - Manage networks, servers and computational resources, primarily on Linux systems. - Stay updated with the latest advancements in computational chemistry and contribute to the development of new methodologies. Qualifications: - PhD in Computational Chemistry, Computational Biology, Biophysics or a related field. - 2+ years of industry experience or 2+ years of academic post-doctoral experience. - Strong background in CADD techniques, including structure-based drug discovery, virtual screening, MD simulations, chemical space analysis, and druggability assessment. - Expert proficiency with one or more commercial or open-source computational drug discovery packages (e.g., Maestro/Schrodinger, MOE/Chemical Computing Group, OpenEye tools, Autodock VINA). - Profound knowledge and hands-on experience with MD software packages such as AMBER, GROMACS, LAMMPS, NAMD, etc. - Experience with server management (Linux). - Excellent interpersonal, organizational, and communication (written and verbal) skills in English. Preferred Skills: - Proficiency in scripting computational workflows using Python or Jupyter notebooks. - Experience with AI-driven drug discovery (AIDD) - Strong problem-solving skills and the ability to work independently and as part of a team. - Demonstrated ability to manage multiple projects and meet deadlines. - Experience with free energy perturbation (FEP) or other MD-based applications. - Experience with quantum chemistry and related packages. - Experience in building quantitative structure-activity relationship (QSAR) models.