Compuational Chemist

We\’re seeking a Computational Chemist to join our team and play a pivotal role in developing our molecular discovery platform. You\’ll work at the intersection of computational chemistry, AI, and agricultural innovation, helping to solve some of the world\’s most pressing food security challenges.This is an exceptional opportunity to be among the first team members at a well-funded startup, working directly with an interdisciplinary team of computer scientists, medicinal chemist, plant scientist, and a business designer to build technology that transforms agriculture.KEY RESPONSIBILITIESLead molecular design projects using computational chemistry and AI/ML tools to identify novel molecular glues for agricultural applicationsApply structure-based drug design techniques including molecular docking, dynamics simulations, and free energy calculations to optimize protein-protein-ligand interactions Design and execute virtual screening campaigns using both ligand and structure-based approaches to identify hit compounds from large chemical librariesCollaborate with an interdisciplinary team of AI/ML scientists, plant biologists, medicinal chemists, and business designers to advance integrated discovery programsDevelop computational workflows and predictive models to improve molecular design efficiency and success ratesMUST HAVE QUALIFICATIONS**PhD in Computational Chemistry **or related field with industry experienceProven 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, Schrödinger, OpenEye, MOE, or similar)Experienced in writing and implementing Python scripts, or utilising pipelining tools (pandas, scikit-learn)Experience with structure-based drug design and understanding of protein-protein interactionsNICE TO HAVE QUALIFICATIONSExperience with protein degradation technologies (PROTACs or molecular glues)**Experience with AI/ML applications **in molecular design or cheminformaticsFamiliarity with cloud computing platforms (GCP, AWS) for computational chemistry workflows**Publication record **in peer-reviewed journals**Background in agricultural **chemistry or crop protection researchWHAT WE OFFERCompetitive compensation: £55-85k salary + equityFlexible work environment: Fully remote work arrangement with quarterly in-person team meetings. The current team sits across London, Cambridge, Porto, and Graz.Professional development: Conference attendance, academic publications, and patent filing experienceMission-driven impact: Contribute to global food security and environmental sustainability.APPLICATION PROCESSApply (CV and GitHub)Initial screening call with a team memberTechnical interviewFinal interviewsReference checks and offer #J-18808-Ljbffr