Lilly Jobs

Job Information

Lilly Research Scientist - Computational Chemistry in Madrid, Spain

Job Category:


Type of Employment:

Puesto permanente


For more than 140 years, Eli Lilly has been dedicated to meeting the health care needs of people around the world. We address these needs primarily by developing innovative medicines—investing heavily in research and development. Lilly credits its exceptional employees for its success and recognizes that the key to ongoing achievement lies in attracting and retaining the best people.

The Discovery Chemistry & Technologies organization within Lilly Research Laboratories is seeking a highly skilled scientist and team player to join the Computational Chemistry group located in Alcobendas (Madrid)

Position Responsibilities:

  • The Discovery Chemistry Research and Technology (DCRT) organization within the Lilly Research Labs is a small molecule drug discovery organization which spans the process from target selection to candidate selection for clinical studies. The Computational Chemistry and Cheminformatics (C3) group in the DCRT organization is seeking a computational scientist with demonstrated experience in utilizing computational techniques in drug discovery, including structure-based design, free energy methods and molecular dynamics.

  • The candidate will be a critical driver of interdisciplinary drug discovery project teams, interpreting data, evaluating and enhancing their own ideas and ideas arising from the team in close collaboration with other team members, and understanding and suggesting wet-lab experiments to test and improve computational hypotheses.

  • The candidate will help drive the utilization of free energy-based methods, such as free energy perturbation affinity prediction, and dynamics-based methods, such as pose stability evaluation, allostery simulation or metadynamics, across the computational chemistry organization.

Basic Qualificiations:

  • Candidates should have a PhD in Chemical Science, Computational Chemistry, Cheminformatics, Computer Science, or Bioinformatics with demonstrated experience in computational chemistry-related science including 2+ years either in the pharmaceutical industry or in a suitable, focused and target-driven postdoctoral academic environment

  • Proven experience on basic modeling tasks (at least some of: straightforward homology modeling, structure-based drug design, construction and validation of docking models, construction/validation of simple chemoinformatic models, library enumeration etc).

  • Familiar with one or more modeling packages (Schrodinger/Maestro, CCG/MOE, Cresset/Forge/Spark or others)

  • Experience of molecular dynamics and/or other free energy related methods, with an interest in effective and reliable application.

  • Ability to script (preferably conventional scripting, e.g. python, though wide experience of visual scripting, e.g. KNIME, would also be an option) to automate and extend package capabilities

  • The successful candidate must be a proactive and creative problem-solving scientist.

  • Fluent in English (C1/Advanced)

  • Excellent communication skills, able to engage highly effectively as team player in a multidisciplinary and international environment.

  • Availability to travel

Additional Skills/Preferences:

  • Experience of the use of bioinformatic information to strengthen the validity of models would be a plus.

  • Knowledge of organic synthesis would be highly valued.

  • Some experience of working with data from biophysical methods (crystallography, electron microscopy, NMR, HDX, etc) and/or experience with protein-protein interactions would be a strong advantage.

Additional Information:

Company Overview:

Posted Date:


Region: Europa/Oriente Medio/Africa

City: Madrid

State: Madrid

Country: Spain

Location Details: Alcobendas

Req Id: 56513BR