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Postdoctoral Fellow: Computational Protein Design and Machine Learning

University of Maryland Baltimore · Pulmonary, Critical Care and Sleep Medicine · United States

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About this position

Postdoctoral Fellow: Computational Protein Design and Machine Learning

  • The Division of Pulmonary, Critical Care and Sleep Medicine at the
  • University of Maryland, Baltimore, School of Medicine is seeking a
  • postdoctoral fellow with expertise in computational protein design,
  • structural bioinformatics, or machine learning for molecular
  • engineering. The fellow will work closely with experimental
  • researchers to design and optimize therapeutic proteins, nanobodies,
  • receptor-binding molecules, and imaging agents.

Key Responsibilities

  • Apply protein structure prediction and computational design methods to generate and prioritize candidate molecules.
  • Analyze protein–protein interactions and sequence–structure–function relationships.
  • Integrate relevant biological datasets to inform target selection and molecular design requirements.
  • Collaborate closely with experimental team members so that computational predictions are tested and experimental data feed directly back into design.
  • Contribute computational and analytical support across the lab’s broader research program as needed.
  • Present findings at internal meetings and scientific conferences and prepare manuscripts for highimpact journals.
  • Mentor junior researchers and contribute to a collaborative lab environment.

Qualifications

  • PhD in Computational Biology, Bioinformatics, Biophysics, Chemistry, Computer Science, or a related field.
  • Demonstrated experience with modern protein structure prediction and design tools, including AlphaFold2/AlphaFold3, Boltz, or Chai-1 for structure and complex prediction; RFdiffusion, ProteinMPNN, or Rosetta for design and inverse folding; and ESM-family or other protein language models.
  • Proficiency in Python and scientific computing is expected.
  • Experience with molecular dynamics simulation (GROMACS, OpenMM, or AMBER) and structural analysis of protein-ligand interactions.
  • Experience analyzing deep mutational scanning, directed evolution, or other high-throughput sequencing datasets is desirable.
  • A track record of computational designs that were experimentally validated, or prior experience working alongside a wet lab, is a strong plus.
  • Ability to work independently and within a collaborative team; strong communication and writing skills.
  • Application: Interested candidates should send their CV, a cover
  • letter outlining their research experience, interest in this position
  • and contact information for three references to Dr. Nalinikanth
  • Kotagiri at NKotagiri@som.umaryland.edu

Desired start date: Immediately

How to apply

  1. Read the full advert on the source site — it carries the authoritative terms.
  2. Email the contact below with your CV and a short, specific message. See Emailing Professors.
  3. Prepare your SOP, CV, transcripts and referees before the deadline.
  4. Apply through the university's own portal. Never pay a fee to a third party.

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