Senior Scientist, Computational Chemistry
Core
Design optimized compounds with balanced properties (targets, DMPK, in-vivo) using computational methodologies to support drug discovery programs from lead identification to late-stage optimization.
Role type
Senior Scientist, Computational Chemistry
Builds
Optimized drug compounds and advanced computational platforms for Neurocrine Biosciences' neurological, psychiatric, endocrine, and immunological disorder treatments.
Domain
Biopharmaceuticals / Computational Chemistry / Drug Discovery
Deliverable
production ML models | product features
Required skills
Protein-Ligand modeling, Molecular Dynamics, Homology Modeling, Quantum Chemistry, Pharmacophore Analyses, Library Design, virtual HTS, Scaffold Hopping, Machine Learning/AI for DMPK/in-vitro endpoints, Python/C++/R scripting, commercial molecular modeling software (Schrodinger, CCG, Open Eye)
Preferred skills
Postdoctoral experience in Cheminformatics, experience with large public domain chemistry datasets, expertise in target druggability assessment
Technologies
Schrodinger, CCG, Open Eye, Python, C++, R
Responsibilities
Drive execution of computational methodologies for compound optimization; serve as subject matter expert in molecular discovery approaches; develop advanced ML/AI in-silico models; lead 1-2 advanced technology platforms; provide training and supervision to junior staff; communicate computationally derived results to discovery teams.
Seniority
Senior, hands-on IC with mentorship responsibilities