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Director, Computational Chemistry

Eikon Therapeutics
Hayward, California
Start date
Aug 25, 2023

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Science/R&D, Chemistry
Required Education
Position Type
Full time
Biotech Bay

Job Details

Eikon Therapeutics is a new biopharmaceutical company employing revolutionary technology at the intersection of chemistry, engineering, computation, and biology to discover novel treatments for life-threatening diseases. Eikon’s discovery platform is built on groundbreaking innovations from its founders (Nobel Prize, 2014), culminating in the creation of microscopes which enable real time, molecular-resolution measurements of protein movement in living cells, thereby unlocking otherwise intractable classes of proteins as drug targets.


The Director of Computational Chemistry is central to our Single-molecule tracking (SMT) platform and Drug Discovery pipeline, playing a key role in discovering and optimizing small-molecule targets. Collaborating closely with biologists, medicinal chemists, software engineers and machine learning experts, they will leverage modern computational chemistry methods to drive our drug discovery pipeline forward. As an integral member of our growing Drug Discovery team, they make a real and direct impact on accelerating the drug discovery process and ultimately benefiting patients.

About You

You’re a computational chemistry expert and leader who loves to solve difficult problems and are not discouraged by challenges. You have a passion for drug discovery and thrive in a fast-paced, dynamic environment. You are curious, love challenges, and enjoy pushing the edge of technology to solve important problems with creative solutions. You’re collaborative by nature, resourceful, open-minded, data-driven, and can operate with a sense of urgency.  

What You’ll Do

  • Lead and build Eikon’s computational chemistry function, spanning screening library selection, hit identification/calling, hit to lead, lead optimization and beyond
  • Influence drug discovery project direction by independently conducting modern computational experiments
  • Play a key role in small-molecule design efforts, including generation of testable hypotheses from structure-based and ligand-based modeling approaches and compound prioritization
  • Routinely employ expert knowledge of SAR, physiochemical and ADMET properties
  • Foster an environment of innovation through application of cutting-edge computational chemistry tools and workflows to accelerate hit calling, lead identification, lead optimization and candidate selection, assisting and educating medicinal chemists, structural biologists, data scientists and machine learning experts to develop new computational tools
  • Define Eikon’s computational chemistry strategy in support of our SMT platform and drug discovery projects
  • Partner closely with our data science team to integrate cutting edge AI/ML tools into our chemistry and drug discovery processes
  • Apply machine learning and data analytics techniques to enhance computational chemistry workflows and accelerate the drug discovery process
  • Represent the computational chemistry group to executive team, senior management, and multidisciplinary project teams
  • Provide day-to-day scientific and organizational leadership, serve as a mentor and role model with the goal of helping to build and develop a high-performing computational drug discovery science team


  • PhD in Computational Chemistry or related discipline 
  • 12+ years of post-graduate experience applying computer modeling to small-molecule drug discovery projects 
  • Expertise with ligand-based design approaches, QSAR, QSPR, conformational analysis, physical chemical property modeling, molecular dynamics, molecular and quantum mechanics, interaction fingerprints, multiparameter optimization and machine learning to rationalize SAR design novel molecules to address specific hypotheses  
  • Proficiency in computational chemistry software, such as Schrödinger Suite, MOE, or similar tools 
  • Strong understanding of medicinal chemistry, in vitro and in vivo ADME, and ability to couple computational-driven approaches to extend lead optimization beyond potency to improve selectivity and ADME properties
  • Experience with cheminformatics data analysis, data mining and machine learning models that accelerate medicinal chemistry and solve drug discovery problems
  • Experience in screening library design, hit calling, and diversity analysis is required
  • Cell-based HTS experience is strongly preferred
  • Solid track record of publications, patents and/or conference presentations in computational chemistry and/or drug discovery 
  • Familiarity with python, machine learning frameworks and Data Lake are preferred 
  • Strong leadership skills with ability to foster a collaborative environment, maintaining close working relationships
  • Excellent problem-solving abilities and the ability to work in a fast-paced, dynamic research environment
  • Strong communication skills with the ability to convey complex scientific concepts to both technical and non-technical stakeholders

At Eikon, employee compensation also includes bonus and equity compensation, in addition to several generous benefit programs, including: 

  • 401k plan with company matching 
  • Medical (premiums covered by Eikon at 95%), dental and vision insurance (premiums covered by Eikon at 100%) 
  • Mental health and wellness benefits 
  • Weeklong summer and winter holiday shutdowns 
  • Generous paid time off and holiday policies 
  • Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies 
  • Enhanced parental leave benefit 
  • Daily subsidized lunch program when on-site 

 The expected salary range for this role is $200,000 to $230,000 depending on skills, competency, and the market demand for your expertise.


Eikon is a pioneering drug discovery and development company that leverages superior engineering and high-performance computing to analyze single molecule protein behavior in living cells. We are engineering a battery of innovative tools and technologies for biological exploration in drug discovery and beyond.

Eikon thrives on the energy and creativity of interdisciplinary teams. We are physicists and chemists, biologists and engineers. We spend our days context-switching between multiple scientific languages. We work with lasers, super-resolution microscopes, and robot arms. We leverage machine learning, cell line engineering, and the collective intelligence of world-class scientists and technologists to observe therapeutically relevant biology in a way no one has before.

We’re endlessly curious, intellectually honest and we love what we do. We’re driven to learn the true mechanisms of biology and pharmacology at the molecular level, to make the biggest difference in as many lives as possible.

Company info
3929 Point Eden Way
United States

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