Research Fellow, Computational Chemistry – 8+ years

Eurofins

11d•Hybrid

About The Position

Eurofins Discovery is seeking to integrate computational sciences, data visualization, bioinformatics, and other data-driven approaches into all stages of the drug development process. The successful candidate will join the expanding Drug Discovery Chemistry group and contribute to building the team's capabilities. This role involves championing computational sciences as a core component of Hit Finding campaigns, modern ML/AI-supported drug discovery, and Eurofins' Integrated Drug Discovery Programs under DiscoveryOne. The individual will collaborate with the DiscoveryAI business to support wider AI-based initiatives and provide technical consultation to chemistry and biology experts. Key responsibilities include overseeing scientific data governance, developing analytical tools, advancing computational chemistry methods, and performing meta-analyses of diverse datasets.

Requirements

Proven track record of impact in drug discovery projects (e.g., contribution to lead identification/optimization, progression of compounds into development).
Strong understanding of medicinal chemistry principles and the ability to translate computational insights into actionable design hypotheses.
Experience with ligand-based design approaches (e.g., QSAR, similarity searching, conformational analysis).
Knowledge of free energy methods (e.g., FEP, MM-GBSA) and their practical application/limitations.
Experience handling and curating large chemical and biological datasets (data quality, standardization, reproducibility).
Familiarity with modern AI/ML approaches in drug discovery (e.g., deep learning, generative models) and their appropriate use cases.
Ability to design, validate, and benchmark computational workflows rather than only applying existing protocols.
Strong statistical thinking and understanding of uncertainty, validation strategies, and model performance metrics.
Experience working in cross-functional teams (medicinal chemistry, biology, DMPK) and communicating results to non-experts.
Exposure to ADMET prediction tools and integration into design cycles.
Ability to critically assess experimental data (SAR, assay variability) and integrate it into modeling efforts.
Very good interpersonal relation skills at all levels of the organization, with capability to influence decisions and lead others to achieve results.
Experience with projects and teams that span multiple time-zones and different cultures.
Excellent verbal, written, analytical, and presentation communication skills, namely of design rational, key experimental results, issues and accomplishments; adept at communicating a clear vision down, up, and across, effectively aligning resources and motivating teams to achieve goals.
Proven ability to successfully influence cross-functionally and to be sought after as a technical expert within the computational sciences applied to drug development domain.
Responsive problem solver and proactive to take actions.
Details oriented, analytical and investigation skills.
Ability to multitask with organization, manage own priorities and deliverables, both independently in an the team setting.
Strong customer focus and ability to manage (internal or external) client expectations.
Ability to work in a complex international environment.
Demonstrates a positive attitude, capacity for team environment, and exhibits a genuine interest in drug discovery in support of advancing human health.

Nice To Haves

Leadership or mentoring experience.
Strategic thinking in selecting and deploying computational, AI & ML approaches aligned with project goals.
Track record of scientific accomplishment demonstrated by publications, patents, or presentations.
Demonstrated ability to work collaboratively in a research program environment and generate hypotheses from computational analysis of data that are strategically aligned with organizational goals and resources.
A mentor and coach who brings strategic experience to drive change adoption to enable long term success for computational sciences and AI/ML approaches applied to Drug Discovery and Eurofins Discovery as a whole.

Responsibilities

Represent Computational Chemistry as the subject matter expert for nonclinical research and development.
Independently pursue research projects, implement novel computational workflows, and support a multi-disciplinary team focused on advancing projects from hit identification to clinical candidate discovery.
Contribute to the development, implementation, and utilization of state-of-the-art computational software, computer-aided drug design, and simulation techniques for in silico drug discovery.
Analyze, interpret, integrate, and report research informatics data generated with internal teams and external clients.
Partner with and support the medicinal chemistry team during lead optimization activities, including docking and scoring of molecules from rational drug design.
Apply or develop new tools or data-mining techniques for integrative analysis and visualization of large datasets.
Participate in data governance objectives in collaboration with IT and laboratory teams.
Provide transparency and regular communication on project status, potential roadblocks, and new strategies to Drug Discovery Chemistry leadership.
Ensure project activities align with Eurofins policies, procedures, and methodologies.
Demonstrate and promote the company vision.
Conduct all activities in a safe and efficient manner.
Own accountability and responsibility for delivering to client needs and timeliness.
Provide cross-functional support to other departments as required.
Adjust work hours as needed to meet client deadlines.
Adhere to site or remote environmental health and safety (EHS) requirements.