Computational Chemist

Position: Computational Chemist
Location: UAE (preferred) / Hybrid / Remote for exceptional candidates

About the Role

We are seeking a Computational Chemist to join our multidisciplinary team and contribute to the development of advanced platforms for molecular design and bioconjugation. The successful candidate will play a central role in developing and validating chemical reactions, ensuring the scientific accuracy of conjugate generation, and supporting the integration of computational chemistry with machine learning workflows.

Responsibilities

• Validate in-silico reaction implementations and ensure chemical correctness across multiple click-chemistry modalities such as SPAAC, IEDDA, or CuAAC.

• Assess and refine linker libraries, reaction templates, and conjugate structures.

• Conduct systematic validation of generated molecules, including checks on valence, charge, stereochemistry, and atom mapping.

• Perform molecular property calculations and provide expert input into scoring and ranking functions.

• Collaborate with machine learning scientists, software engineers, and biologists to integrate computational chemistry methods into scalable workflows for click chemistry.

• Contribute to the design of new reaction modules, linkers, antibodies, and conjugation

strategies.

• Document validation procedures and establish quality assurance standards for chemistry outputs.

Qualifications

• PhD or MSc in Computational Chemistry, Cheminformatics, Organic Chemistry, or a related discipline.

• Demonstrated expertise in molecular modelling, reaction chemistry, or chemoinformatics.

• Proficiency in Python and chemoinformatics toolkits (ideally, RDKit).

• Strong understanding of molecular descriptors, reaction SMARTS, and structural validation.

• Experience in interdisciplinary projects involving computational methods and experimental or data-driven workflows.

• Excellent communication skills and ability to work collaboratively in cross-functional teams.

Desirable Skills

• Familiarity with bioconjugation, drug conjugates (ADCs, PDCs), or lipid-based delivery systems.

• Experience with molecular dynamics and docking simulations.

• Knowledge of protein or peptide modeling tools (e.g., AlphaFold2-3, MODELLER) and antibody design tools (e.g. DiffAb).

• Awareness of drug design principles beyond classical “drug-likeness” metrics.

What We Offer?

• Competitive salary and growth opportunities.
• The opportunity to drive innovation in the personalized medicine space.
• Access to cutting-edge research, data, and tools.
• A collaborative and forward-thinking environment where your ideas can make an impact.
• Experience with medical dashboards or healthcare visualization

Job Type: Full-time

Pay: AED20,000.00 - AED40,000.00 per month