Computational Medicinal Chemistry Scientist

1d1 day ago

Monte Rosa Therapeutics

Basel, CH · Full-time · CHF 140,000 – CHF 180,000

About this role

We are seeking a highly motivated and creative Computational Medicinal Chemist to support discovery programs. You will operate at the interface of computational chemistry and medicinal chemistry as an embedded, project-facing contributor within lead identification and lead optimisation teams. This includes involvement in earlier discovery phases.

This project-driven role applies computational approaches to directly inform compound design, optimisation, and decision-making. You will work closely with multidisciplinary teams in chemistry, biology, and data science. The focus leverages the company’s core expertise in degrader discovery.

Day-to-day involves serving as a core computational contributor on project teams during lead identification, hit-to-lead, and lead optimisation. Apply techniques like molecular docking, ligand-based design, and molecular modelling to guide SAR exploration. Collaborate on designing project-relevant compound libraries with medicinal chemists.

Communicate results effectively to cross-functional teams, translating analyses into actionable guidance. Contribute to improving computational workflows and tools. Gain tangible impact on novel chemical matter design in a dynamic biotech environment.

Requirements

PhD in computational chemistry, chemistry, biophysics, or a related scientific discipline with a strong computational focus
1-4 years of Postdoctoral training and/or relevant industry experience in pharmaceutical or biotech drug discovery
Demonstrated application of ligand- and structure-based design approaches in small-molecule discovery projects
Working knowledge of medicinal chemistry and preclinical drug design in the context of compound optimisation, including SAR development, ADME considerations, and multiparameter optimisation
Solid understanding of protein–ligand interactions and structure-based compound optimisation strategies, along with hands-on experience with multiple core computational techniques in ligand- and structure-based drug design
Proficiency in Python and cheminformatics toolkits with practical application for scientific scripting, data analysis, and workflow development
Familiarity with machine-learning approaches for small-molecule activity and ADME property prediction, and experience applying model outputs in a medicinal chemistry or project context
Experience working effectively within multidisciplinary project teams

Responsibilities

Serve as a core computational contributor on project teams, supporting lead identification, hit-to-lead, and lead optimisation through structure- and ligand-based design
Apply and integrate computational techniques such as molecular docking, ligand-based design, diversity and conformational analyses, molecular modelling to guide SAR exploration and compound optimisation
Contribute to the design and prioritisation of project-relevant compound libraries and collections in close collaboration with medicinal chemists
Communicate computational results clearly and effectively to cross-functional teams, translating analyses into actionable medicinal chemistry guidance
Contribute to the continuous improvement of computational workflows, tools, and best practices