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Computational Chemistry Scientist
Job in
Indianapolis, Hamilton County, Indiana, 46262, USA
Listed on 2026-03-05
Listing for:
Virtual Vocations Inc
Full Time
position Listed on 2026-03-05
Job specializations:
-
Research/Development
Research Scientist
Job Description & How to Apply Below
A company is looking for a Scientist, Computational Chemistry.
Key Responsibilities Analyze protein targets for ADMET and off-targets, focusing on conformations and binding site flexibility Run and refine small-molecule docking, molecular dynamics, and free energy perturbation simulations Apply cheminformatics tools and machine learning methods for molecular property prediction and model validation
Required Qualifications Ph.D. in computational chemistry, structural biology, biophysics, or a related field 2+ years of postdoctoral or industry experience in structure-based modeling Hands-on expertise with free energy perturbation techniques and simulation platforms
Experience with RDKit and machine learning methods for molecular property modeling Programming experience in Python and familiarity with relevant tools like MD Analysis or PyMOL APIs
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