Principal Scientist, Computational Chemistry

Cambridge, Massachusetts
Mar 10, 2021
Apr 09, 2021
Field of specialization
Computers / Computational / Informatics
Job Type
Full time

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


Job Requirements

  • 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