Principal Scientist (Computational Chemistry)
Core
Lead computational chemistry efforts to discover and advance induced proximity small molecules into clinical candidates using advanced modeling, AI/ML, and molecular dynamics.
Role type
Principal Scientist (Computational Chemistry)
Builds
Induced proximity small molecule discovery pipeline and clinical candidates
Domain
Pharmaceutical drug discovery / Computational chemistry / AI for Drug Discovery
Deliverable
production ML models | product features
Required skills
Induced proximity discovery, Molecular dynamics, Affinity prediction, Protein-ligand co-folding, Generative models, Active learning, Docking, Quantum mechanics, Python programming, Cloud computing, High-performance computing (HPC)
Preferred skills
MOE, Schrodinger, OpenEye, Rosetta, AI/ML in induced proximity space, Scientific publications
Technologies
Python, MOE, Schrodinger, OpenEye, Rosetta
Responsibilities
Develop and implement advanced computational methods for ternary complex modeling and ligand optimization; Apply AI/ML technologies for protein-ligand co-folding and generative models; Provide strategic direction and present scientific findings to stakeholders; Collaborate with Structural Biology, Biochemical Pharmacology, and other cross-functional groups
Seniority
Principal, hands-on IC with strategic direction