I am partnered with an exciting, upcoming biotech operating across the EU focused on molecular discovery driving drug discovery. You will be at the intersection of Computational Chemistry, AI, and drug discovery.
This is an exceptional opportunity to be among the first team members at a well-funded start-up, working directly with an interdisciplinary team of computer scientists and medicinal chemists.
KEY RESPONSIBILITIES
* Lead molecular design projects using computational chemistry approaches and AI/ML tools.
* Apply structure-based drug design techniques, such as molecular docking, molecular dynamics simulations, free energy calculations, protein-protein interactions, and virtual screening.
* Identify hit compounds from large chemical libraries using ligand- and structure-based approaches within hit identification.
* Collaborate with cross-functional teams of AI/ML scientists and medicinal chemists to advance discovery programs.
* Develop computational workflows and predictive models to improve work efficiency.
MUST HAVE QUALIFICATIONS
* PhD in Computational Chemistry or related field with industry experience in the pharmaceutical industry.
* Proven track record in molecular design projects that have progressed to experimental validation.
* Familiarity with protein structure and ligand datasets (e.g., PDB, ChEMBL, PubChem, Zinc, Enamine, Wuxi).
* Expertise in molecular modeling, including protein-ligand docking, molecular dynamics simulations, and free energy calculations.
* Proficiency with computational chemistry software such as AutoDock Vina/Smina, Rosetta, OpenMM, GROMACS, RDKit, PyMOL.
* Experience in writing and implementing Python scripts and utilizing pipelining tools like pandas and scikit-learn.
NICE TO HAVES
* Experience with AI/ML applications in molecular design or cheminformatics.
* Familiarity with cloud computing platforms (GCP, AWS) for computational workflows.
* Proven contributions to industry R&D through publications or research grants.
Seniority level
* Mid-Senior level
Employment type
* Full-time
Job function
* Science, Management, and Project Management
Industries
* Biotechnology Research and Pharmaceutical Manufacturing
This job is active and available.
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