Research Training Project ESR3:
The research project to be developed by ESR3 will be mainly focused on the integration of computational modelling and structure-based drug design with a flow synthesis-bioassay system. As such, ESR3 will have a strong interest in the application of computational techniques within a drug discovery environment, along with the desire to undertake a significant amount of practical laboratory based synthetic organic chemistry. Together these activities aim to identify new inhibitor chemotypes and lead molecules active against HBV.
Main tasks
- Application of state of the art computer-aided drug design approaches in the discovery and optimization of novel inhibitors of HBV
- Generation, validation and use of predictive models of pharmaceutically relevant properties of small molecule drug candidates
- Generation of novel databases and workflows useful in the automation of multi-parameter drug design
- To identify, develop and apply a broad range of techniques to pursue the research objectives
- Flow synthesis and testing of designed small molecules
Skills and Experience
Essential
- Master degree in chemistry, pharmaceutical chemistry, medicinal chemistry or a related area, with a strong background in practical synthetic chemistry
- Strong interest in working at the interface of computational and organic/medicinal chemistry
- Good practical laboratory skills
- Strong oral and written communication skills
- Team oriented, problem solving and creative thinking
- Fluent English skills
Desirable
- Knowledge of computational chemistry techniques and software (especially Gromacs, VMD, NAMD, and KNIME)
- Experience in structure based drug design
- Additional qualifications/experience (e.g. at MSc/MPhil level, or industrial experience) in a cognate area
- Knowledge of molecular properties, assays and metrics used in the optimization of small molecule drug candidates
- Significant practical experience in a medicinal chemistry environment (for example, through the completion of an industrial placement year as part of undergraduate study, or through post education employment)
- General willingness to learn basic German language