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Research Scientist – Computational Chemistry

Medicinal Chemistry Unit

IRBM is a scientific contract research organization (CRO) that stands at the forefront of drug discovery, leveraging a single, unified research facility, located in Pomezia (Rome), Italy, to accelerate team-based breakthroughs and improve efficiencies from initial concept to pre-clinical candidate.

With a history of contributing to several approved drugs, and its own internal pipeline of oncology and other therapeutic assets, IRBM is powered by deep collaborations and decades of expertise from leading global institutions. Our comprehensive in-house capabilities assist partners in achieving key milestones and progressing towards clinical readiness, positioning IRBM as a major player in driving innovation in the pharmaceutical and biotech fields.

Job Description

IRBM is seeking a talented and highly motivated computational chemist. The ideal candidate will have proven experience in applying a wide range of molecular modelling and computer aided drug design techniques to the advancement of small molecule drug discovery programs. The successful candidate will be highly creative, proactive, and detail-oriented with a passion for drug discovery. The individual will be an integral member of our drug discovery medicinal chemistry team and will drive the in silico strategy, providing tailored computational chemistry support across multiple and diverse small molecule drug discovery programs.

Key responsibilities

  • Provide computational chemistry support to research projects using a broad spectrum of structure-based design and cheminformatics techniques and analyses; enhance the understanding of SAR and influence team strategy by assimilating and interpreting data using modelling, and data-mining technologies.
  • Apply state-of-the-art computational approaches to solving pharmaceutical research problems
  • Establish and maintain productive interactions with our Structural Biology, High Throughput Screening, and Discovery Biology divisions.
  • Active participation in group, project team and departmental research meetings.
  • Help to advance and maintain internal computational chemistry and chemoinformatic tools and infrastructure.
  • Contributes to the writing of technical documents, patents, scientific manuscripts, etc.


  • Demonstrated expertise in computational methods such as structure and ligand-based design, conformational analysis, molecular dynamics, QSAR, binding free energy calculations and data mining.
  • Excellent oral and written presentation skills in English. Be able to explain clearly complex and abstract computational strategies and capable to adapt to diverse targeted audiences (chemists, biologists, CADDs).
  • Proficient in computer programming and in modelling packages
  • Skilled in the use of advanced scientific concepts and theories relevant to Computational Chemistry.
  • Excellent at multi-tasking and capable of supporting multiple programs simultaneously
  • Good interpersonal skills, flexible and works well within a team environment
  • Experience in MD or PROTAC design would be considered a plus.


  • Required: Ph.D. in Chemistry, Computational Chemistry or related field. With at least 1+ year of relevant research experience in Accademia or Research institution
  • Preferred: 1+ years of industrial experience in the drug discovery field.
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