Structural Immunoinformatics Scientist Jobs

Description

Exscientia is an AI-driven pharmatech company committed to discovering, designing, and developing the best possible drugs in the fastest and most effective manner. Exscientia developed the first-ever functional precision oncology platform to successfully guide treatment selection and improve patient outcomes in a prospective interventional clinical study, as well as to progressing the first AI-designed drugs into the clinical setting.

We are expanding our patient-first AI platform to the design of biologics. Led by Professor Charlotte Deane MBE, our strategy is to create the next generation of biologics by design not discovery, driven by an AI and automated experiment.

By designing better drugs, faster, we believe the best ideas of science can rapidly become the best medicines for patients.

We’re seeking a Structural Immunoinformatics scientist, focused on the computational modeling, design, and developability of biomolecules, to support Exscientia’s Biologics pipeline which uses virtual screening, in silico affinity maturation, multi-parameter optimization, active learning, and experimental validation through robotics & automation. We are designing a truly novel, data and process centric platform and this is a fantastic opportunity to apply your hard-earned skills in a team first mission driven company.

As a Structural Immunoinformatics Scientist, you will have the opportunity to perform:

• Generative AI Design: Integrate the biologics engineering and computational biophysics workflow into Exscientia’s generative design pipeline, to provide structural feature space for geometric deep learning and diffusion models
• Computational Biophysics: Predict physicochemical and thermodynamic properties of biologics, to calculate metrics such as folding stability, binding energetics, hydrophobicity, electrostatics, aggregation, self-association, viscosity, glycan shielding, and post-translational modifications
• Biologics Engineering: Implement structure-based protein engineering pipelines for virtual screening, epitope mapping & targeting, affinity maturation, evolutionary consensus design, mutagenesis, CDR loop modeling, stability of antibody framework regions, and enhancing in vivo half-life
• Automation & Experimental Design: Build an integrated, automated computational and experimental data generation platform for multi-parameter optimization & active learning, providing in silico pipelines to predict and model _in vitro _data such as expression (UV-Vis), binding kinetics (surface plasmon resonance), folding stability (differential scanning fluorimetry), aggregation (static & dynamic light scattering), neutralization (IC50), and structure (cryo-electron microscopy)

Requirements

• Proficient in programming and software deployment: For example, Python, C++, HPCs, Linux, AWS, Slurm
• Ph.D. degree in Computational Biology, Biophysics, Structural Biology, Physics, Computer Science, Computational Chemistry, Artificial Intelligence or related disciplines, or master’s degree focusing on computational modeling, design, and characterization of proteins, antibodies, or biomacromolecules
• Proven experience with relevant protein modeling and design software: For example, Rosetta, RosettaFold, AlphaFold2, MOE, tools for evolutionary consensus design, enhancing thermostability, and germline targeting (e.g., HHBLITS, MMSEQS2, KA-Search, PROSS, FireProt, ProteinMPNN)
• Experience in ensemble or molecular dynamics analysis of biomolecules for biophysical characterization, using tools such as AMBER, CHARMM, GROMACS, YASARA, and physicochemical property prediction (e.g., Therapeutic Antibody Profiler, CamSol, Spatial Aggregation Propensity, Spatial Charge Map)
• Strong background in computational protein engineering and design, or computational biophysics for calculating structural and physicochemical features
• Preferable background in developing machine learning models for structure-based prediction, docking, design, or characterization of biologics (e.g., RFdiffusion, dMASIF, DeepSCM, ABlooper, IgFold, ImmuneBuilder)

Benefits

Exscientia does not offer visa sponsorships for this position and applicants must be eligible to work in the United States.