Director, Computational Chemistry

Location San Diego
Discipline: Data Science
Job type: Permanent
Job ref: 30404
Published: about 1 month ago
Expiry date: 11 Jul 2024 23:59

  • As the

    ASSOCIATE/DIRECTOR, COMPUTATIONAL CHEMISTRY,you will work as part of a multi-disciplinary team of Medicinal Chemists, Computational Chemists, Structural biologists, Pharmacologists and Biologists to provide Computational expertise to advance drug discovery projects.

  • You will contribute to drug discovery efforts across various modalities including small molecules, bifunctional degraders, peptides, RNA/oligonucleotides, and biologics.

  • You will implement and execute innovative computational methodologies and tools such as AI approaches to support drug discovery efforts.


  • Responsible for visibility and representation of Computational Chemistry Accomplishments to the executive team.

  • Demonstrate expert understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment.

  • Identify, develop, validate, and implement innovative computational approaches that improve research productivity and success.

  • Provide important technical knowledge and input to project teams to drive decision making in drug discovery projects.

  • Manage and mentor a Strong team of Computational Chemists to high productivity levels


  • PhD degree in a Computational Chemistry with 10+ years experience in Pharma/Biotech

  • 10+ years of Industry experience including 2+ years in leadership roles and mentoring direct reports is required

  • Strong expertise in a variety of computational tools and methodologies including Docking, Virtual screening, Molecular dynamics, Free energy perturbation, Homology modeling, Quantum mechanics, Pharmacophore elucidation, Data mining, Cheminformatics, Clustering, Similarity & Diversity analysis.

  • Strong Impact on progressing Discovery Projects from Hits to Clinical Leads

  • Strong knowledge & experience in using a variety of tools for Hit ID

  • Provide project teams with computational strategies to inform, influence, and prioritize compound designs for potency/selectivity and improve ADME/Tox endpoints.

  • Contribute to the design, development and deployment of AI platforms to impact drug discovery.

  • Identify and implement novel computational chemistry algorithms, technologies, and workflows.

  • Strong Proficiency with state of the art Computational chemistry software.

  • Proficiency in scientific scripting and programming languages