Senior Computational Chemist – AI-Driven Drug Discovery

Eurofins; Missouri; On-site; USD 140,000 - 200,000; Full time

Benefits offered by this job

Medical insurance

Dental insurance

Vision insurance

Life insurance

Disability insurance

401(k) with company match

Paid vacation and holidays

Job summary

Eurofins USA Discovery Services seeks a senior Computational Chemistry professional to lead data-driven drug discovery efforts. The role focuses on championing computational sciences in hit finding, lead optimization, and AI/ML-supported design across multidisciplinary teams.

The candidate will develop novel workflows, ensure data governance, and translate computational insights into actionable design hypotheses within Eurofins’ integrated drug discovery programs.

Qualifications

• Proven track record in drug discovery projects.
• Strong understanding of medicinal chemistry principles and translating insights into design hypotheses.
• Experience with ligand-based design approaches (QSAR, similarity searching, conformational analysis).
• Knowledge of free energy methods (FEP, MM-GBSA) and practical applications.

Responsibilities

• Represent Computational Chemistry as SME for nonclinical R&D.
• Lead computational workflows from hit identification to discovery of clinical candidates.
• Develop and utilize computational software and in silico drug design techniques.
• Analyze and report research informatics data with internal teams and clients.
• Support lead optimization activities such as docking and scoring.

Skills

Computational chemistry

Drug discovery

AI/ML in drug discovery

Data governance

Cross-functional collaboration

Tools

QSAR

FEP

MM-GBSA

Job description

Eurofins USA Discovery Services seeks a senior Computational Chemistry professional to lead data-driven drug discovery efforts. The role focuses on championing computational sciences in hit finding, lead optimization, and AI/ML-supported design across multidisciplinary teams.

The candidate will develop novel workflows, ensure data governance, and translate computational insights into actionable design hypotheses within Eurofins’ integrated drug discovery programs.