Molecular Dynamics Expert

1 day ago


Cambridge, Cambridgeshire, United Kingdom SLS Services Limited Full time

We are seeking a molecular dynamics expert to join our team at SLS Services Limited, a clinical-stage biopharmaceutical company developing novel medicines for underserved diseases.

About the Role

This position involves working on multiple projects across various therapeutic areas and stages from initial hit identification to lead optimization.

Key Responsibilities:
  • You will be responsible for contributing to the development of computational chemistry technologies for drug discovery.
  • Develop tools and workflows to extract, integrate, analyze, and visualize chemical, biophysical, and ADMET data to support project decision-making processes.
  • Support and train members of the discovery teams in analysis and visualization tools and other aspects of computational chemistry.
RequirementsEssential Qualifications:
  • Industry experience or postdoctoral experience in computational chemistry.
  • Practical knowledge of conducting and analyzing molecular dynamics simulations using standard software such as OpenMM, AMBER, and/or GROMACS.
  • Experience in QSAR virtual screening, ideally with peptides.
  • Experience in writing analysis scripts and pipelines in common scripting languages such as Python in Jupyter notebooks or as standalone scripts.
  • Experience in amino acid and peptide modeling.
  • Practical knowledge of Free Energy Perturbation calculations.
  • Use of HPC.
Desirable Qualifications:
  • Knowledge of cheminformatics methods and databases.
  • Practical knowledge of quantum mechanical calculations.
  • Skills in machine learning, deep learning, statistical modeling, and advanced data analytics.
  • Experience in drug discovery organizations.

Estimated Salary: $170,000 per year.



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