Computational Theoretical Chemist I

1910genetics; Boston (MA); Hybrid; USD 80,000 - 120,000; Full time

Job summary

An established industry player in biotechnology is seeking a talented individual contributor to join their innovative team. This role involves leveraging advanced computational chemistry techniques to drive drug discovery efforts. You'll be at the forefront of integrating AI and biological automation, contributing to the design of drug-like molecules. The position offers a unique opportunity to work on cutting-edge research, collaborate with a dynamic team, and enhance your skills in computational life sciences. If you're passionate about making a difference in the field of drug development, this is the perfect opportunity for you.

Benefits

Generous equity package

Competitive salary

Above market benefits

Generous vacation

Parental leave

Team building activities

Flexible work schedule

Qualifications

• PhD in Computational Life Sciences with strong knowledge in computational chemistry.
• Experience in developing Molecular Dynamics and Quantum Mechanics simulations.

Responsibilities

• Prepare computational simulations for AI/ML training data.
• Write and publish peer-reviewed scientific articles.

Skills

Computational Chemistry

Molecular Dynamics Simulations

Python Programming

Bash Scripting

Quantum Mechanics Simulations

AI/ML Methods

Excellent Communication Skills

Education

PhD in Computational Life Sciences

Tools

RDKit

Job description

1910 Genetics is the only company that has built a synergistic, dual-purpose small and large molecule platform that integrates artificial intelligence (AI), computation, and biological automation to design drug-like molecules better, faster, and cheaper than traditional approaches. Based in the Seaport District of Boston, 1910 Genetics is a Series A stage biotechnology startup that was founded in 2018 and is backed by prestigious investors, including M12-Microsoft’s Venture Fund, Sam Altman – the CEO of OpenAI (makers of ChatGPT), Playground Global, Y Combinator, New Ventures Funds (Scientia Ventures), and many others.

At 1910 Genetics, we first established an understanding of the molecular basis of disease to the granularity at which the world understands sickle cell anemia. This understanding centers biology as our North Star and drives our integration of artificial intelligence (AI), computation, and biological automation to accelerate the design of small molecule and protein therapeutics.

Recent advances in computational technologies have placed historically “undruggable” targets within therapeutic reach. But at 1910 Genetics, we often say “Biology is King,” meaning that computational technologies are only impactful in drug discovery when driven by experimental biology. Our platforms’ scale and breadth empower us to be therapeutic area-agnostic with programs ranging from neuroscience and immunology to infectious disease and oncology, to name a few.

You are someone we can count on to...

Roll up their sleeves as an Individual Contributor (IC) by keeping up with relevant scientific literature, simulating biochemical processes for use as training data in AI/ML models, and contributing to our active drug design campaigns by providing computational guidance during the design phase.

Ideally you have...

• PhD in Computational Life Sciences Discipline (e.g. Computational Chemistry, Computational Physics/Biophysics, Computational Structural Biology, Computational Medicinal Chemistry, Theoretical Chemistry, etc.)
• Understanding of computational chemistry concepts such as potential energy surface (PES), (inter)molecular forces/interactions, molecular properties, force field, molecular dynamics, etc.
• Experience developing and running Molecular Dynamics Simulations (MDS): all atom, coarse grain, Replica-exchange, Metadynamics, Simulated annealing
• Experience making free energy of perturbation (FEP) calculations.
• Water molecule modeling (WMM) including placement and displacement simulations.
• Experience developing and running Quantum Mechanics (QM) simulations
• Exposure to Molecular Docking techniques
• The ability to write clean Python and Bash scripts
• Experience with RDKit
• Exposure to AI/ML methods applied to chemistry
• Excellent written and spoken communication skills

Your key responsibilities will include...

• Reporting to the head of AI Research and ML Engineering
• Preparing computational simulations for use as AI/ML training data
• Keeping up-to-date on cutting edge computational theoretical chemistry research
• Writing and publishing peer-reviewed scientific articles
• Periodically presenting recent computational research at internal journal clubs

You will learn...

• How computational chemistry simulations can contribute to the AI/ML training pipeline
• How to demonstrate business value related to computational solutions
• Biology and medicinal chemistry related to your modelling efforts

You will teach...

• Cross-functional scientific colleagues about how computational chemistry methods can be used to answer theoretical chemistry questions.

You will improve…

• Our existing process for progressing from computational hit to experimental hit to lead to drug candidate

Compensation and Benefits...

• Extremely generous equity package coupled with competitive salary
• Above the market benefits
• Generous vacation and parental leave
• Super cool team building activities
• Flexible work schedule, work onsite three days a week (Tue-Thu)