I am looking for a computational chemist with experience in various techniques including virtual screening, molecular dynamics, and applying machine learning (ML) models to analyse and interpret a broad spectrum of project data. This is for a clinical-stage biopharmaceutical company developing a novel class of medicines, for diseases that are underserved by existing therapeutics.
You will join a highly collaborative environment and work with multiple teams, both UK and US based, within their drug discovery pipeline. You will be highly-motivated, self-starting, and ambitious.
Key responsibilities
You will be involved in multiple projects drawn from a range of therapeutic areas and at different stages from initial hit identification to lead optimisation
Responsible for providing computational chemistry expertise to cross-functional teams to support drug discovery projects.
Contribute to the ongoing development of computational chemistry technologies for drug discovery within the company
Developing and implementing tools and workflows to extract, integrate, analyse and visualise chemical, biophysical and ADMET data to support our various project decision making processes
Support and train members of the discovery teams in the use of analysis and visualisation tools and other aspects of computational chemistry
Qualifications
Essential:
Industry experience, or post doctorial experience in computational chemistry
Practical knowledge of conducting and analysis of molecular dynamics (MD) simulations using standard software such as OpenMM, AMBER and/or GROMACS, etc
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 modelling
Practical knowledge of Free Energy Perturbation (FEP) calculations
Use of HPC
Desirable:
Knowledge of cheminformatics methods and databases
Practical knowledge of quantum mechanical calculations (QM)
Skills in machine learning, deep learning, statistical modelling, and advanced data analytics
Experience in drug discovery organisation(s)