Postdoctoral Fellow Computational Chemistry

The Discovery Sciences organization within Janssen R&D is continuing to build key scientific expertise in screening, pharmacology and chemistry to develop groundbreaking peptide-based medicines in the areas of Oncology, Immunology, Neuroscience, Cardiovascular, and Infectious Diseases. We are exploring novel physics-based and machine learning-based methods for modeling peptide conformation and physico-chemical properties, including cyclic peptides incorporating non-canonical amino acids. As a post-doctoral fellow in the computational chemistry group, you will: Be part of an industry leading peptide discovery and development group and have an opportunity to influence the evolution of this emerging and rapidly growing therapeutic modality. Develop novel algorithms based on physics-based biomolecular simulations and machine-learning for high throughput prediction of conformational landscape of cyclic peptides with non-canonical amino acids. Survey the literature to curate datasets of peptide structures and physico-chemical properties and identify gaps where additional data is likely to improve models. Develop statistical and machine learning models for prediction of physico-chemical properties of peptides and benchmark the models on internal and literature data. Clearly communicate the results through oral presentations and written manuscripts. Tasks/Duties/Responsibilities Literature survey and development of datasets Method development and application Publications Professional development Qualifications Required Minimum Education: PhD Required Knowledge, Skills and Abilities: A PhD in Computational Chemistry or related field is required Strong understanding of statistical thermodynamics underlying molecular dynamics and Monte Carlo based biomolecular simulation approaches Hands-on experience of application of enhanced sampling MD methods and/or Rosetta to biomolecules Hands-on experience of scientific computing in python and lower-level languages; experience of developing molecular visualization code is desirable A track record of publications in peer-reviewed journals is preferred Highly motivated, curious, and collaborative Excellent written and verbal communication skills are required Primary Location United States-Pennsylvania-Spring House-Welsh & McKean Roads Organization Janssen Research & Development, LLC (6084) Job Function R&D Requisition ID 2105983583W