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Computational Chemist

2 months ago


Cambridge, Cambridgeshire, United Kingdom SLS Services Limited Full time
Computational Chemist Opportunity

We are seeking a highly motivated and experienced computational chemist to join our team at SLS Services Limited. As a computational chemist, you will play a key role in supporting our drug discovery pipeline by providing expertise in computational chemistry and developing tools and workflows to extract, integrate, and analyze chemical, biophysical, and ADMET data.

Key Responsibilities:

  • Conduct molecular dynamics simulations using standard software such as OpenMM, AMBER, and GROMACS
  • Develop and implement tools and workflows to support drug discovery projects
  • Collaborate with cross-functional teams to provide computational chemistry expertise
  • Contribute to the ongoing development of computational chemistry technologies within the company

Qualifications:

  • Industry experience or postdoctoral experience in computational chemistry
  • Practical knowledge of conducting and analyzing molecular dynamics simulations
  • Experience in QSAR virtual screening, ideally with peptides
  • Experience in writing analysis scripts and pipelines in common scripting languages
  • Experience in amino acid and peptide modeling
  • Practical knowledge of Free Energy Perturbation (FEP) 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