Research Scientist II/Senior, Computational Chemistry
I
Iambic TherapeuticsDrug Discovery
Remote - USFull-TimeSenior
Salary124,000 - 172,000 USD per year
Apply NowOpens the employer's application page
Job Details
- Experience
- 2+ years of relevant experience in drug discovery
- Required Skills
- PythonMachine Learning
Requirements
- PhD or equivalent degree in computational chemistry (or related field) with 2+ years of relevant experience in drug discovery
- Experience supporting active small molecule drug discovery programs
- Experience with ligand and structure based design tools
- Proficiency in Python for scientific computing, data analysis, and computational workflow development
- Excellent written and verbal communication skills
- Industry experience supporting active drug discovery programs (Strongly preferred)
- Experience with molecular modeling platforms such as MOE, Schrödinger, OpenEye, or equivalent tools (Strongly preferred)
- Familiarity with MD simulation, molecular docking and advanced binding affinity prediction methods (e.g. MM/GBSA, FEP) (Strongly preferred)
- Experience with ML-augmented small molecule discovery (Strongly preferred)
Responsibilities
- Apply a range of ligand and structure-based approaches across hit identification, hit to lead and lead optimization phases (e.g. cheminformatics, pharmacophore modeling, docking and shape-based based virtual screening, de novo molecular design, MD simulation)
- Guide design cycles through the identification of structure-activity relationships and the integration of computational predictions with bioactivity data
- Partner with medicinal chemists to design, evaluate and prioritize virtual libraries, and propose actionable molecular designs
- Partner with ML scientists to integrate SBDD methods with our proprietary transformer-based property prediction technology (Enchant)
- Leverage and evolve our proprietary protein-ligand co-folding technology (NeuralPLexer) to yield novel and actionable structural hypotheses
- Translate scientific questions into computational workflows and deliver actionable results
- Present results to internal project teams and external partners, explaining methods, implications and recommendations
- Develop, validate, and maintain computational workflows and tools
View Full Description & ApplyYou'll be redirected to the employer's site
