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Computational Protein Design Scientist

CHARMM-GUI
Rockville, MD Full Time
POSTED ON 1/19/2025
AVAILABLE BEFORE 4/18/2025

CHARMM is a versatile program for atomic-level simulation of many-particle systems, particularly macromolecules of biological interest. - M. Karplus

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Job Title : Computational Protein Design Scientist

You will :

  • Utilize computational modeling techniques to design and predict antibody structures, including homology modeling and de novo design algorithms.
  • Conduct in silico analysis to evaluate the binding interactions between antibodies and target antigens e.g., docking, molecular simulations.
  • Employ bioinformatics tools and databases to analyze antibody sequence and structure data.
  • Experience with solubility and developability algorithms for antibodies is a plus.
  • Generate, interpret, and communicate in silico data, and communicate data with the department lead as well as with project teams.
  • Contribute to the overall computational antibody strategy for multiple new drug R&D projects and play an active part in its implementation.
  • Collaborate with experimental researchers to validate and optimize designed antibodies through in vitro and in vivo assays.
  • Keep abreast of the latest developments in computational antibody design methodologies and contribute to the continuous improvement of design strategies.
  • Present findings and progress updates to cross-functional teams and participate in project meetings.
  • Contribute to scientific publications, external presentations, patents, and grant applications related to computational antibody design.
  • Familiar with CHARMM, Rosetta, Gromacs, AlphaFold, ESMfold, RFdesign, ProteinMPNN, Meta dynamics, or FEP calculation.

Requirements :

  • Ph.D. in computational chemistry, bioinformatics, structural biology, medicinal chemistry, or a related field.
  • Familiarity with antibody sequence and structure databases and bioinformatics tools.
  • Excellent analytical and problem-solving skills.
  • Strong communication and collaboration abilities to work effectively in interdisciplinary teams.
  • Expertise in computational methods is highly preferred (molecular docking, homology modeling, structure- and ligand-based design, conformational analysis, molecular dynamics simulations, QSAR, binding free energy calculations).
  • How to Apply

    Please send an email with your CV / resume to luke.kramer@epmscientific.com. I will be sure to respond within 48 hours to set up a time to discuss the role in further detail.

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