Partner closely with computational and medicinal chemists on Discovery Chemistry project teams to address challenging structure-activity relationships and multi-parameter optimization
Develop and deploy specialized informatics workflows for non-traditional modalities (cyclic peptides, macrocycles) and DNA-Encoded Library platforms, including combinatorial enumeration, selection data triage, and hit prioritization
Design, validate, and implement scalable cheminformatics and machine learning pipelines for predictive property modeling, virtual screening, and chemical library triage
Establish robust, automated computational tools and data pipelines that bridge internal chemical data platforms and modern modeling frameworks
Maintain an active external scientific presence through publications, conference presentations, and community engagement, while mentoring junior staff, interns, and co-ops
Requirements
Ph.D. in Cheminformatics, Computational Chemistry, Chemistry, Computer Science, Bioinformatics, or a related quantitative discipline
M.S. degree with 4+ years of relevant industry/research experience
Nice to have: computational design of cyclic peptides
Nice to have: macrocycles
Nice to have: non-canonical peptide representations
Partner closely with computational and medicinal chemists on Discovery Chemistry project teams to address challenging structure-activity relationships and multi-parameter optimization
Develop and deploy specialized informatics workflows for non-traditional modalities (cyclic peptides, macrocycles) and DNA-Encoded Library platforms, including combinatorial enumeration, selection data triage, and hit prioritization
Design, validate, and implement scalable cheminformatics and machine learning pipelines for predictive property modeling, virtual screening, and chemical library triage
Establish robust, automated computational tools and data pipelines that bridge internal chemical data platforms and modern modeling frameworks
Maintain an active external scientific presence through publications, conference presentations, and community engagement, while mentoring junior staff, interns, and co-ops
Requirements
Ph.D. in Cheminformatics, Computational Chemistry, Chemistry, Computer Science, Bioinformatics, or a related quantitative discipline
M.S. degree with 4+ years of relevant industry/research experience
Nice to have: computational design of cyclic peptides, macrocycles, or non-canonical peptide representations
