Scientist Chemistry

Description

Title: Computational Chemist – Molecular Dynamics Simulation Expert Duration: 12-Months Fixed-Term Location: Waltham, minimum of 60% onsite We are seeking an enthusiastic and talented Computational Chemist for a 12-month fixed-term 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 About You: You have a PhD (or equivalent experience) in computational chemistry, biophysics, structural biology, or a related field. You have a 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) You are proficient in standard scientific programming/scripting (e.g., Python, Bash, or similar) You communicate scientific concepts clearly, both verbally and in writing Familiarity with other computational biophysics techniques (e.g., protein-protein docking, enhanced sampling) Requirements: PhD Years of experience: up to 10 years of experience is max Phython and SAP skills are required. Teams size: 6 Interview process: 1 virtual screen, then 1 panel interview, onsite if local.