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Principal Scientist, Computational Chemistry

The American College of Radiation Oncology

This is a Full-time position in Cambridge, MA posted February 17, 2021.

  • Principal Scientist, Computational Chemistry

Principal Scientist, Computational Chemistry

LifeMine Therapeutics is reinventing drug discovery by mining fungal biodiversity to develop novel therapeutics that address previously intractable therapeutic challenges. Through its drug discovery engine and proprietary fungal strain collections, LifeMine has discovered, in genomic space, hundreds of potentially high-impact drug candidates relevant to targets across all major disease areas. With operations in Cambridge and Gloucester, Massachusetts, LifeMine’s initial focus is on highly impactful precision medicines in oncology and immune modulation.

Job Summary

We are seeking an experienced and highly motivated PhD-level computational chemist to join our growing drug discovery team. The primary responsibility of the position is to drive structure-based design of complex, hypothesis-driven analogues of natural products. Keys to success will be deep experience with modern computational chemistry tools and drug design strategies combined with creativity and urgency to drive our mission forward. The role also offers the opportunity to lead the development and implementation of novel computational chemistry methods to address challenges specific to LifeMine’s fungal natural product drug discovery platform. Experience with natural products or molecules with natural product-like structural and stereochemical complexity is a plus, as is comfort beyond rule-of-five space. The role will be deeply embedded in both our Medicinal Chemistry and Data Sciences groups.

Job Responsibilities

  • Partner with Medicinal Chemistry, Structural Biology, and all other relevant functions to drive structure-based design of novel chemical matter for all ongoing drug discovery programs
  • Analyze biochemical and cellular SAR and other relevant data including in vitro ADME, PK, and counter-screening to drive analog designs to address key program challenges
  • Develop and implement computational chemistry methods to triage compound designs and impact “make / do-not-make” decisions
  • Build close partnerships with all stakeholders in our drug discovery organization to influence overarching discovery strategy
  • Prepare and present designs, analysis, and plans in R&D meetings


  • Ph.D. in a relevant field with 8+ years post-degree experience, at least 4 of which are within the biotech industry
  • Track record of proven impact through the application of computational chemistry approaches (e.g. structure-based design, homology modeling, molecular dynamics, quantum mechanics, Free Energy Perturbation)
  • Deep technical expertise with commonly used computational chemistry tools and methods (e.g. Schrödinger, CCG, OpenEye, Rosetta)
  • Skilled in cheminformatics approaches (QSAR, machine learning) and data analytics/visualization
  • Publications and patents that demonstrate a track record of creative application of computational approaches to solve problems and advance drug discovery
  • Knowledge of ADME principles, multi-parameter compound design and optimization
  • Excellent written, organizational and documentation skills
  • Ability to communicate effectively with all levels of the organization, including colleagues and managers
  • Spirit of collaboration and solutions-oriented thinking to enable success in a diverse team environment
  • The successful candidate will be self-motivated, enjoy working in a fast-paced dynamic team environment, and be inspired by our mission to bring novel therapies to patients who need them

LifeMine is an Equal Opportunity Employer and Affirmative Action Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sexual orientation, gender identity, age, physical or mental disability, veteran status, genetic information, ethnicity, citizenship, or any other characteristic protected by law.

We kindly request no solicitations by agencies or firms regarding this role.

Job Information

  • Job ID: 55647279
  • Location:
    Cambridge, 553096, United States
  • Position Title: Principal Scientist, Computational Chemistry
  • Company Name: LifeMine Therapeutics, Inc.
  • Job Function: Chemist,
    Drug Discovery,
  • LifeMine Therapeutics, Inc. is the first biotechnology company exploiting the unique ability of fungi to produce powerful drugs optimized through billions of years of evolution and deploying these molecules for the treatment of intractable human diseases via novel biological mechanisms. The company is using a genome mining and recombinant overexpression approach to mount a massive search for novel drugs through the fungal biosphere. With operations in Cambridge and Gloucester, Massachusetts, LifeMine brings a unique approach…

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