Computational Postdoc: MD Simulations for Antibiotics

University-of-Oxford; Oxford; On-site; GBP 42,000 - 56,000; Full time

Benefits offered by this job

38 days annual leave (pro rata for PT)

An excellent contributory pension

Family leave schemes

Cycle and electric car loan schemes

Employee Assistance Programme

Membership to social and sports clubs

Discounted bus travel and travel loans

Weekly coffee and cake mornings, and 社

Job summary

The University of Oxford is seeking a Computational Postdoctoral Research Associate to lead molecular simulation work for the Gr-ADI project. You will conduct free energy calculations to identify mutations affecting ligand binding, guiding lead optimisation against Klebsiella pneumoniae targets.

Based in the MMM Unit at Oxford's John Radcliffe Hospital, you will collaborate across microbiology, genomics, statistics and software engineering.

Qualifications

• PhD in a relevant scientific subject (computational chemistry or biophysics).
• Experience setting up, running and analysing classical molecular dynamics simulations.
• Ability to perform alchemical free energy calculations on protein/ligand systems.

Responsibilities

• Lead on molecular simulations and free energy calculations for Gr-ADI targets.
• Identify suitable target/ligand complexes and run simulations; analyse results.
• Prepare scientific abstracts and manuscripts; present findings to the team.
• Mentor DPhil students and support other group members; participate in meetings.

Skills

Molecular dynamics

Free energy calculations

Python3

Linux/Unix

High-performance computing

Drug discovery

Education

PhD in computational chemistry/biophysics

Tools

GROMACS/AMBER

Python3

Job description

The University of Oxford is seeking a Computational Postdoctoral Research Associate to lead molecular simulation work for the Gr-ADI project. You will conduct free energy calculations to identify mutations affecting ligand binding, guiding lead optimisation against Klebsiella pneumoniae targets.

Based in the MMM Unit at Oxford's John Radcliffe Hospital, you will collaborate across microbiology, genomics, statistics and software engineering.