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, medicinal chemists.
KEY RESPONSIBILITIES
* Lead molecular design projects using computational chemistry approaches and AI/ML tools.
* Apply structure-based drug design techniques. For example: Molecular docking, molecular dynamics simulations, free energy calculations, protein-protein interactions, virtual screening
* Familiarity with identifying hit compound from large chemical libraries using ligand and structure-based approached within hit identification.
* Collaborating with cross-functional teams of AI/ML scientists, 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 progressed to experimental validation
* Familiarity with protein structure and ligand datasets (PDB, PINDER, PLINDER, ChEMBL, PubChem, Zinc, Enamine, Wuxi, etc.)
* Expertise in molecular modeling including protein-ligand docking, molecular dynamics simulations, and free energy calculations.
* Proficiency with computational chemistry software (AutoDock Vina/Smina, Rosetta, OpenMM, GROMACS, RDKit, PyMOL, etc...)
* Experienced in writing and implementing Python scripts, or utilising pipelining tools (pandas, scikit-learn)
NICE TO HAVES
* Experience with AI/ML applications in molecular design or cheminformatics
* Familiarity with cloud computing platforms (GCP, AWS) for computational chemistry workflows
* Proven contributions to industry R&D through publications, or research grants