Computational Chemistry, Structural Biology & Drug Discovery Scientist (PhD)

What you'll do

Think of the drug discovery pipeline from target structure to lead optimisation, turned into exam questions for AI. You write expert problems with checkable solutions across molecular modelling and simulation, protein structure prediction and design, virtual screening and docking, QSAR and ADMET modelling, and proteomics or metabolomics data analysis. Then you evaluate model answers for accuracy and depth of reasoning, finding the subtle errors (a wrong force field assumption, a misread binding pose) that a generalist reviewer would miss.

You also produce detailed rubrics and reference answers rooted in the literature, and explain your reasoning in writing so peers can validate it. Expect feedback and peer review rounds. Remote, contractor engagement, no hours published.

What you need

• A PhD in computational chemistry, structural biology, biophysics, bioinformatics, medicinal chemistry, biochemistry or a closely related field
• Hands-on research experience in an academic or industry lab; wet lab work is a plus, not a requirement
• English at C1 or above, written and spoken
• Python in practice; the ad says it is required in practice even though it appears under preferred skills

Nice to have

The preferred list is long and specific, which is useful for judging fit:

• Postdoc or pharma/biotech research in drug discovery or structural biology, and a first-author publication record
• Simulation: GROMACS, AMBER, NAMD, OpenMM, free energy methods (FEP/TI)
• Structure: AlphaFold, Rosetta, homology modelling, cryo-EM or X-ray data interpretation
• Docking and screening: AutoDock, Glide, Schrödinger Suite, MOE
• Cheminformatics: RDKit, QSAR/QSPR, ADMET prediction, fingerprinting, library design
• Proteomics and metabolomics: LC-MS/MS, MaxQuant, DIA/DDA workflows, PTM analysis, untargeted metabolomics
• R or Bash, ML for molecular property prediction (GNNs, generative models), and benchmarking or scientific reviewing experience

What it pays

The ad states $45–90/hour, the same band as micro1's other PhD science postings in this group. For industry computational chemists, the floor is well under typical pharma consulting rates; the ad does not say what earns the top end, and no payment schedule is listed.

Worth knowing

Good:

• Spans computational and structural roles that often fall between chemistry and biology ads
• Industry pharma or biotech research counts explicitly, not only academic posts
• The named tools make the fit easy to judge before you apply
• 50 openings, High demand, open worldwide

Less good:

• A $45 floor for a PhD in a field where industry pays far more
• Python is effectively mandatory despite where the ad files it
• The preferred list is broad enough that it is unclear which subarea the project needs most
• Hours, project length and the customer are not published

About this listing

Read on micro1's referral jobs board on 18 October 2026, four days after posting. Every figure and requirement above is from the ad. If your background is chemistry first rather than structure and drug discovery, micro1's STEM Expert: Chemistry & Computational Chemistry listing at the same rate is the closer match, and it covers experimental subfields too. See micro1.