Scientist Chemistry - Zenith LifeScience : Job Details

Title: Computational Chemist Molecular Dynamics Simulation ExpertDuration: 12-MonthsLocation: Waltham, MA (minimum of 60% onsite)Job DescriptionWe are seeking an enthusiastic and talented Computational Chemist for a 12-month position to contribute to the modeling of anti-tumor drug candidates.You will drive molecular dynamics (MD) simulation to work on anti-tumor drug discovery projects. Your primary responsibility will be to develop, execute, and analyze MD simulations, with a strong emphasis on coarse-grained MD methodologies. You will collaborate closely with experimental scientists and other computational experts to provide structural and mechanistic insights that guide the design and optimization of drug candidates.Key Responsibilities

• Design and conduct MD simulations to explore structure, dynamics, and interactions relevant to molecular interactions
• Apply coarse-grained MD techniques and contribute to methodological improvements where possible
• Analyze and interpret simulation results; effectively communicate findings to multidisciplinary project teams
• Collaborate with experimental and therapeutic area colleagues to link modeling data to biological and pharmacological outcomes
• Document methodologies, results, and best practices to enable knowledge transfer and reproducibility

Required Skill &Education

• Must have a PhD (or equivalent experience) in computational chemistry, biophysics, structural biology, or a related field.
• Proven track record with molecular dynamics simulation methodologies, including set-up, execution, and analysis
• Preferably, you bring hands-on experience with coarse-grained MD approaches (such as MARTINI or related frameworks)
• Proficient in standard scientific programming/scripting (e.g., Python, Bash, or similar)
• Communicate scientific concepts clearly, both verbally and in writing
• Familiarity with other computational biophysics techniques (e.g., protein-protein docking, enhanced sampling)

#J-18808-Ljbffr