Research Scientist, Computational Chemistry for Protein Design, Fixed-Term Contract

DeepMind; London; On-site; GBP 125,000 - 150,000; Full time

Job summary

A leading AI research organization in London is seeking a passionate Research Scientist to develop cutting-edge AI tools for protein design. The ideal candidate will have a PhD or equivalent experience in computational chemistry and expertise in molecular dynamics. This role involves collaborating with diverse experts and developing predictive metrics for enzyme activity, offering a unique opportunity to impact scientific discovery.

Qualifications

• PhD or 3+ years equivalent experience in industry.
• Expertise in molecular dynamics and protein force fields.
• Experience in running large-scale calculations.

Responsibilities

• Run molecular dynamics to analyze designed enzymes.
• Develop infrastructure for computational chemistry.
• Train teammates in computational chemistry tools.

Skills

Molecular dynamics

Computational chemistry

Collaboration

Critical thinking

Education

PhD in molecular modeling, computational chemistry, or biophysics

Job description

Overview

Science is at the heart of everything we do at Google DeepMind. From the beginning, we took inspiration from science to build better algorithms, and now, we want to use our toolkit to accelerate scientific discovery. By bringing together specialists with backgrounds in machine learning, computer science, physics, chemistry, biology and more, we're optimistic that we can build new methods that will push the boundaries of what is possible and help solve the biggest problems facing humanity.

The Role

As a Research Scientist working on Protein Design, you will play a key role in developing and validating cutting-edge AI tools for designing proteins with novel functions, such as enzymes. You will apply your expertise in computational chemistry to perform in silico analyses of protein-ligand complexes to develop predictors of protein function in the wet lab. You will use your engineering skills to set up and parallelize force-field calculations and/or molecular dynamics simulations on many design candidates. Additionally, you will work with machine learning and biology experts to troubleshoot and improve design methods. Finally, you will advise on and develop ambitious new research goals in protein and enzyme design, as well as biomolecular modelling more generally.

Key responsibilities

• Run molecular dynamics using classical or machine-learned force fields to analyze designed enzymes and develop predictive metrics for their activity in the wet lab.
• Develop engineering infrastructure to support computational chemistry calculations at scale.
• Train teammates in computational chemistry tools for biological applications.
• Work collaboratively with teammates from diverse scientific backgrounds to improve and expand the capabilities of protein design tools.
• Report and present research findings and developments including status and results clearly and efficiently both internally and externally, verbally and in writing, in a fast paced environment.

About You

In order to set you up for success as a Research Scientist at Google DeepMind, we look for the following skills and experience:

• You are passionate about the potential of AI to revolutionize protein design and are motivated to apply your deep computational expertise to challenging scientific problems.
• You have a strong ability to think critically and creatively about complex issues in bimolecular modeling and simulation.
• You are a strong collaborator and communicator, skilled at explaining difficult concepts from your field to team members from diverse scientific backgrounds such as machine learning and biology.
• You are motivated to stay at the forefront of advancements in computational chemistry and their intersection with machine learning.

REQUIRED SKILLS

• PhD in a relevant field (molecular modeling, computational chemistry, biophysics) or 3+ years equivalent experience in industry.
• Expertise in molecular dynamics and protein and organic small-molecule force fields.
• Hands-on experience setting up engineering infrastructure for running large-scale calculations.
• High attention to detail, persistence, and ability to independently implement and troubleshoot research projects.
• Skilled in teamwork and collaboration with computational and experimental researchers.

In addition, the following would be an advantage:

• Post-PhD research experience.
• Expertise in any of: machine learning, quantum chemistry, machine-learned interatomic potentials, protein structure prediction or design.
• Experience or interest in modeling enzyme catalysis.
• A passion for AI and protein design!

At Google DeepMind, we value diversity of experience, knowledge, backgrounds and perspectives and harness these qualities to create extraordinary impact. We are committed to equal employment opportunity regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy, or related condition (including breastfeeding) or any other basis as protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.