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Reporting to the R&D Director, the Computational Protein Engineer will be a critical, hands-on contributor, leveraging state-of-the-art computational methods—including machine learning (ML) and physics-based simulations—to drive the design and optimization of enzymes and antibodies. This role is central to our R&D objectives, focusing on improving key properties such as stability, expression, affinity, enzymatic activity, and solubility of our high-value reagents. The role holder will take responsibility for the management of their own R&D projects and proactively work towards their completion within agreed timeframes. The opportunity to execute protein expression and/or protein characterization will also be provided.

Key Duties and Responsibilities

The successful candidate will be responsible for the execution and leadership of computational protein engineering projects, including:

Computational Duties

• Protein Optimization: Utilize both machine-learning and physics-based simulation methods to rationally design and improve the properties (stability, activity, solubility, affinity, etc.) of novel enzyme and antibody reagents.
• Predictive Model Development: Take experimental high-throughput screening (HTS) data for antibody and enzyme mutants and design robust predictive models for generating novel, high-value mutants using a Bayesian optimization approach.
• Molecular Simulation: Design, execute, and analyze classical molecular simulation (Molecular Dynamics and Monte Carlo) studies to probe protein dynamics and interaction mechanisms.
• Force Field Development: Customize or create small molecule force fields for accurate computational studies of non-covalent interactions between small molecules and antibodies, and for investigating transition states in enzyme-substrate complexes.
• Pipeline Development: Develop, validate, and maintain high-performance computational workflows and pipelines for protein design.

Research and Development Tasks

• New Product Development: Contribute to the development and launch of new products in conformance with the Neogen NPI Process, including developing timelines and liaising with Product Managers.
• Troubleshooting & Optimization: Troubleshoot and optimize computational and experimental assay designs as required.
• Record Keeping: Maintain excellent, detailed records of all computational models, simulation parameters, and results using an electronic lab notebook system.
• Interdepartmental Collaboration: Actively liaise with R&D teams (Biochemical, Molecular Biology, etc.) to integrate computational designs with experimental data in a robust, iterative design-build-test-learn cycle.

General

• Reporting: Present research findings, methodologies, and progress to the Research Director and other R&D leadership.
• Documentation: Prepare all relevant documentation, including technical reports, protocols, and SOPS for computational workflows.
• Scientific Support: Provide expert scientific support to other departments and teams as needed.

Come Be Part Of A Mission that Matters!

From inside the farm gate to our dinner plates, Neogen protects the world’s food supply. Through a variety of animal healthcare products, to food safety solutions for dangerous bacteria, allergens, toxins, drug residues and much more, Neogen is there — and you can be too.