Senior Scientist I, Computational Chemistry

The Opportunity:

We are seeking a motivated Senior Scientist I to join our dynamic Computational Chemistry team.This position offers an exciting opportunity to drive drug discovery through cutting-edge computational methods, working at the intersection of structural biology, medicinal chemistry, biology, and data science to accelerate the development of transformative therapeutics for patients.

As a key contributor in our Computational Chemistry team, you will:

• Partner with multidisciplinary, collaborative teams in Discovery Sciences to design, optimize, and accelerate the discovery of novel drug candidates using structure-based computational methods.

• Analyze structure-activity relationships (SAR) and make data-driven decisions by systematically following existing SAR trends to guide compound prioritization and design strategies for Ro5 and bRo5 molecules.

• Partner closely with Medicinal Chemists to prioritize compound designs both independently and collaboratively, effectively communicating scientific rationale and recommendations to diverse interdisciplinary teams.

• Design and implement virtual screening workflows leveraging both structure-based and ligand based computational methods to discover novel hit compounds and accelerate lead optimization processes.

• Leverage advanced computational methodologies, including physics-based methods, generative models and machine learning approaches, to enhance understanding of SAR and drive Ro5 and bRo5 projects with timely decision making to ensure focus and delivery of key objectives.

• Provide innovative ideas and models to challenge and guide project roadmap while serving as lead computational chemistry representative on drug discovery pipeline projects

• Devise and execute strategies to augment our hit finding abilities for novel protein and protein protein targets, aid in designing diverse chemical libraries.

Required Skills, Experience and Education:

• Ph.D. in computational chemistry or related field.

• 5+ years of computational chemistry experience in the biotechnology/pharmaceutical industry alongside a strong track record of positive impact in programs demonstrated by publications, patents, and/or presentations.

• Expert-level knowledge of contemporary computational chemistry methods and their use in protein-ligand analysis and drug design such as docking, virtual screening, pharmacophore modeling, MD simulation, QM calculations etc.

• n-depth experience with computational chemistry, cheminformatics, data science, machine learning software.

• Scientific programming or scripting in Bash, Python, R, Java, C languages, or similar languages.

• Excellent oral and written communication skills. Experience in positively influence team decisions and effectively collaborate across multidisciplinary environments.

• Driven by a desire to be innovative and creative in a high energy, fast-paced environment.

Preferred Skills:

• Experience with diverse Ro5 and bRo5 therapeutic modalities such as macrocycles and small molecules.

• Working in HPC environments.

• Strong publication history demonstrating computational chemistry expertise and innovation.

• Familiarity with data visualization tools and analytics tools for effective communication of insights.

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