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University of Maryland Baltimore

Postdoctoral Fellow: Computational Protein Design and Machine Learning

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Job Description

The Division of Pulmonary, Critical Care and Sleep Medicine at the University of Maryland, Baltimore, School of Medicine is seeking apostdoctoral fellow with expertise in computational protein design, structural bioinformatics, or machine learning for molecularengineering. 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 andcomputational design methods to generate and prioritize candidate molecules. Analyze protein-protein interactions andsequence-structure-function relationships. Integrate relevant biological datasets to inform target selection and molecular designrequirements. Collaborate closely with experimental team members so that computational predictions are tested and experimental datafeed directly back into design. Contribute computational and analytical support across the lab's broader research program asneeded. Present findings at internal meetings and scientific conferences and prepare manuscripts for high-impactjournals. Mentor junior researchers and contribute to a collaborative lab environment. Qualifications PhD in Computational Biology, Bioinformatics, Biophysics, Chemistry, Computer Science, or a related field. Demonstratedexperience with modern protein structure prediction and design tools, including AlphaFold2/AlphaFold3, Boltz, or Chai-1 for structure andcomplex prediction; RFdiffusion, ProteinMPNN, or Rosetta for design and inverse folding; and ESM-family or other protein languagemodels. 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, directedevolution, or other high-throughput sequencing datasets is desirable. A track record of computational designs that wereexperimentally validated, or prior experience working alongside a wet lab, is a strong plus. Ability to work independently andwithin a collaborative team; strong communication and writing skills.
Application:
Interested candidates should sendtheir 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

Benefits

  • Dental Insurance