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VP, Computational Chemistry/Cheminformatics

Cambridge, MA 02142

Posted: 02/16/2023 Employment Type: Direct Hire/Perm Job Category: Scientific Job Number: 546339 Is job remote?: Yes Country: United States

Job Description

Role: VP, Computational Chemistry 


Reporting to the President, R&D, we are looking for a VP-level innovative scientist and leader in computational chemistry and cheminformatics that seeks to build and grow a next-level, cutting-edge computational chemistry platform/team thoughtfully and collaboratively. Several of the must-haves is an eagerness to explore/apply the very latest and emerging computational technologies, a strong ability to lead and deliver, and a passion for making a difference in the lives of cancer patients. The candidate will be critical for shaping the Company’s computational chemistry and cheminformatics platforms with a future-looking strategy by implementing the latest advances in cutting-edge computational approaches. This candidate will build/lead a computational drug discovery team to help advance small molecules through all stages of drug discovery – from target selection, hit identification and optimization through to development candidate selection.  We have an incredibly strong and dynamic team of pioneers in drug discovery and development and are looking for someone to complement and grow with us.

Who are we looking for?
  • A highly knowledgeable, flexible, and solution oriented leader who drives cross-functional results
  • Cutting edge Computational Chemist/Cheminformatics professional well versed in new Computational Chemistry and Cheminformatics Software
What are we looking for?
  • A professional who enjoys working in a dynamic goal-oriented small company working environment
  • A reliable goal-oriented collaborator and colleague, who can manage priorities and maintain timelines across multiple project teams.
What you will do:
  • Conceptualize, design, and the lead Company’s computational chemistry approach including drug design, cheminformatics, AI-based predictive systems, simulation- and in virtual screening identification and optimization.
  • Collaborate closely with diverse and outstanding biology, medicinal chemistry, pharmacology and DMPK teams to support discovery research and help identify promising small molecules for preclinical development, aligning with R&D and Company corporate goals
  • Enables project team success using modern virtual screening methodology, molecular dynamics, and development of in-silico predictive models
  • Build and manage our computational chemistry and cheminformatics group, including recruitment of new team members
  • Be a part of the R&D senior leadership team guiding company evolution
  • Identify and initiate academic and industry collaborations to support our long-term computational chemistry and cheminformatic strategies
What you will bring:
  • PhD. in computer science, cheminformatics, computational chemistry, or medicinal chemistry
  • Minimum of 15 plus years of post-degree industry experience in applying cutting-edge computational chemistry for structure-guided drug discovery
  • Proficiency with modern computational chemistry and cheminformatics software and a strong technical understanding of the underlying principles for the techniques employed
  • Ability to move beyond packaged software to prototype and implement innovative ideas using modern programming languages
  • Strong background in theoretical and hands-on structure-guided and ligand-based drug design, library design, diversity analysis and conformational analysis is required
  • Eagerness to collaborate with medicinal chemists in an iterative design cycle to optimize computational output/recommendations for new molecules to test actionable hypotheses and rationalize SAR
  • Understanding of medicinal chemistry, in vitro and in vivo ADME, and ability to couple that with modeling-driven approaches that extend to aspects of lead optimization beyond potency is required
  • Knowledge of current computational chemistry landscape and application of novel methods when practical and effective
  • Motivated to improve hit-finding campaigns with approaches utilizing virtual screening, fragment, DEL and cell-based assays
  • Experience with multiple classes of drug targets, kinase inhibitor design and allosteric binders is strongly preferred
  • Experience building machine learning models
  • Demonstrated ability to define and implement a scalable research data strategy and supporting processes and infrastructure
  • Open and honest communicator with the desire and ability to clearly present data to computational chemistry experts and non-experts, as well as to work effectively as part of larger cross-functional teams
  • Ability to collaborate across disciplines and integrate cross-functional data to drive computational chemistry strategies
  • Strong functional leadership in managing direct reports while creating an inclusive environment that encourages ideas, discussion, and debate
  • Proven ability to manage timelines and resources to reach decisions and move teams towards milestones
  • Persistent in the face of obstacles and uncertainty, flexible, self-aware of strengths and weaknesses, brutally objective in the evaluation of data and strongly optimistic about overcoming challenges
  • Identify support needed from CROs and external parties, with a demonstrable ability to prioritize, delegate and manage computational functions performed by outside contractors
  • A strong scientific track record of publications in peer-reviewed journals and/or patent literature is required

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