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

We are looking for Computational Chemistry, Structural Biology & Drug Discovery Scientist (PhD) candidates for a project delivered through the hiring partner.

What you'll do

  • Design and write challenging, expert-level scientific problems in computational chemistry, structural biology, and drug discovery, with clear, verifiable solutions.
  • Review and evaluate AI model outputs for scientific accuracy, rigor, and depth of reasoning, identifying subtle errors that non-specialists would miss.
  • Develop detailed rubrics and reference answers grounded in the primary literature and established methodology.
  • Apply domain expertise across areas such as molecular modeling and simulation, protein structure prediction and design, virtual screening and docking, QSAR/ADMET modeling, and proteomics/metabolomics data analysis.
  • Provide clear written explanations of your reasoning, so that other experts can follow and validate it.
  • Meet quality standards through iterative feedback and peer review cycles.

What you need

  • 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 (wetlab experience is a plus).
  • Professional written and spoken English (C1 or higher).

Nice to have

  • Postdoctoral or industry research experience (pharma/biotech) in drug discovery or structural biology.
  • Strong publication record, particularly first-author papers in relevant journals.
  • Molecular modeling and simulation: GROMACS, AMBER, NAMD, OpenMM, free energy methods (FEP/TI).
  • Structure prediction and design: AlphaFold, Rosetta, homology modeling, cryo-EM / X-ray crystallography data interpretation.
  • Docking and virtual 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.
  • Programming: Python (required in practice), plus R, Bash, or similar; experience with ML for molecular property prediction (GNNs, generative models) is a plus.
  • Experience with benchmarking, model evaluation, or scientific writing/reviewing.
  • Ability to explain complex scientific concepts clearly and precisely in writing.

Expertise

Who you work with

Project and contracting process: the hiring partner. Applications continue on the provider's website.

Pay and hours

This role pays $45–$90/hr. The work is remote. That is about 13% above the $60 an hour median for engineering roles open now.

Median pay for engineering roles: $60/hr

Who can apply from where

The provider lists this role as open worldwide. With a profile, Tier1 checks your country and languages against this role and every other before you apply.

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