Senior Scientist - Chemoinformatics

Job Title: Senior Scientist - Chemoinformatics

Location: USA, Remote

Employment Type: Full-time

Overview

We are looking for a

PhD-level scientist with deep expertise in molecular interaction, antibody engineering, and peptide design to join our computational discovery team. The successful candidate will apply chemoinformatics, structural biology, and computational chemistry approaches to accelerate the development of novel therapeutics, diagnostics, and biomaterials.

Key Responsibilities

• Design and optimize therapeutic antibodies and bioactive peptides using computational modeling and AI-assisted methods.
  
• Perform molecular docking, molecular dynamics simulations, and structure-activity relationship (SAR) analysis to evaluate and improve molecular interactions.
  
• Curate and analyze complex chemical, biological, and genomic datasets to identify potential drug candidates.
  
• Build and maintain computational pipelines for virtual screening, de novo design, and in silico affinity maturation.
  
• Collaborate with wet-lab scientists to translate computational findings into experimental validation strategies.
  
• Integrate chemoinformatics tools with structural biology for advanced modeling of protein-ligand and protein-protein interactions.
  
• Stay current with emerging trends in AI-driven drug design, antibody engineering, and molecular simulation techniques.
  

Qualifications

Education:

• PhD in Biochemistry, Medicinal Chemistry, Medical Genetics, or related field.
  

Technical Expertise:

• Strong background in molecular interaction theory and computational molecular design.
  
• Proven experience in antibody modeling (e.g., homology modeling, CDR loop refinement) and peptide structure prediction.
  
• Skilled in molecular docking (AutoDock, Schrodinger, MOE, Rosetta) and molecular dynamics (GROMACS, AMBER, CHARMM).
  
• Proficiency in chemoinformatics frameworks (RDKit, Open Babel, KNIME) and programming (Python, R).
  
• Knowledge of bioinformatics databases (PDB, UniProt, IMGT, Antibodypedia) and sequence-structure relationship analysis.
  
• Familiarity with AI/ML methods for drug design (scikit-learn, PyTorch, TensorFlow).
  

Preferred Attributes

• Experience in therapeutic development pipelines from concept to pre-clinical stage.
  
• Familiarity with epitope mapping, affinity maturation, and antibody humanization techniques.
  
• Publication record in computational drug design, antibody engineering, or molecular modeling.
  

What We Offer?

• Competitive salary and growth opportunities.
  
• Availability for relocation is offered
  
• The opportunity to drive innovation in the personalized medicine space.
  
• Access to cutting-edge research, data, and tools.
  
• A collaborative and forward-thinking environment where your ideas can make an impact.
  

How to Apply:

If you are passionate about supporting a high-performing team in an exciting, fast-paced industry, we’d love to hear from you! Please submit your CV along with a cover letter detailing your relevant experience and why you believe you’d be a great fit for Prepaire.

For more information,

Visit us at www.prepaire.com

Job Type: Full-time

Pay: $9,000.00 - $12,000.00 per month

Work Location: Remote