Principal Scientist, Molecular Perturbation Modeling

Site Name: USA - Pennsylvania - Upper Providence, UK - Hertfordshire - Stevenage, USA - California - San Francisco, USA - Massachusetts - Cambridge
Posted Date: Oct 30 2025

As a (Senior) Principal Scientist in the Protein Design and Informatics (PDI) team, you will focus on translating biological mechanisms of disease to molecular mechanisms of therapeutics by integrating perturbation data to design new molecules that modulate disease phenotypes. The advancement in de novo design technologies has opened the doors to generate molecules to test biological hypotheses at scale, build up foundational data to predict new perturbation effects, accelerate the validation of disease intervention points, and drive therapeutic discovery campaigns. Included in the larger Data, Automation, and Predictive Sciences (DAPS) department, you will be the predictive engine for R&D, focusing on researching and embedding new methods to enable the vision of automation of the entire Design-Make-Test-Analyze cycle, driving Lab-in-an-Automated-Loop frameworks from target discovery to the clinic - all stages of a therapeutic project.

You'll have the opportunity to work in close partnership with many departments across GSK, developing and fostering a high-performing team culture of collaboration, curiosity, consistency, agility, quality, peer review, and continuous improvement with a relentless focus on creating medicines for patients.

We create a place where people can grow, be their best, be safe, and feel welcome, valued and included. We offer a competitive salary, an annual bonus based on company performance, healthcare and wellbeing programmes, pension plan membership, and shares and savings programme.

We embrace modern work practises; our Performance with Choice programme offers a hybrid working model, empowering you to find the optimal balance between remote and in-office work.

Discover more about our company wide benefits and life at GSK on our webpage Life at GSK | GSK

In this role you may

• Work to generate, validate, and integrate multimodal generative AIML models for the de novo design and multi-objective optimization of tool and therapeutic molecules, such as miniproteins, antibodies, antigens, peptides, ADCs, and oligonucleotides.
• Guide molecular perturbation experiments that validate mechanisms of disease and show reversal of disease phenotypes and signatures.
• Build and exploit agent-orchestrated, integrated Design-Make-Test-Analyze cycles with automated experimental platforms, generating quality data at scale needed for project-specific and foundational models.
• Identify and advocate for the opportunities afforded by scientific computation and platform automation and driving therapeutic project plans with predictive technologies.
• Collaborate with external groups to further develop protein engineering computational methods.
• Predict and evaluate potential disease intervention points for their probability of success to be therapeutically modulated across any modality.

Why you?

Basic Qualifications & Skills:

We are looking for professionals with these required skills to achieve our goals:

• PhD or equivalent in Bioinformatics, Physics, Chemistry, Computer Science, Structural Biology, or related fields
• Experience in protein structural or sequence analysis
• Experience in one or more programming languages (e.g. Python)
• Experience with training or applying multimodal input (sequence, structure, genetic, small/large molecular, etc.) and output (imaging, omics, etc.) ML models
• Experience to work as team lead or member; ability to work/lead effectively in a matrix environment
• Have experience working across scientific and technical disciplines to deliver impactful solutions that drive project progression

Preferred Qualifications & Skills:

Please note the following skills are not necessary, just preferred, if you do not have them, please still apply:

• Experience developing or applying modern ML architectures for molecular design models (LLMs, diffusion models, flow-matching, Bayesian Optimization, GNNs, etc.)
• Experience with the design of multiple therapeutic modalities
• Experience designing de novo binders for specified targets and epitopes to answer biological questions
• Experience with cloud engineering production-ready robust and scalable scientific workflows
• Experience building and deploying agentic workflows
• Demonstrated learning agility, and scientific curiosity while maintaining focus on driving greater impact in the face of uncertainty and change
• Ability to generate conclusion reports, present data in team meetings and participate in writing of abstracts and publications for the scientific community

#LI-GSKThe US annual base salary for new hires in this position ranges from $121,275 to $202,125 The US salary ranges take into account a number of factors including work location within the US market, the candidate's skills, experience, education level and the market rate for the role. In addition, this position offers an annual bonus and eligibility to participate in our share based long term incentive program which is dependent on the level of the role. Available benefits include health care and other insurance benefits (for employee and family), retirement benefits, paid holidays, vacation, and paid caregiver/parental and medical leave.If salary ranges are not displayed in the job posting for a specific country, the relevant compensation will be discussed during the recruitment process.

Please visit GSK US Benefits Summary to learn more about the comprehensive benefits program GSK offers US employees.

Why GSK?
Uniting science, technology and talent to get ahead of disease together.

GSK is a global biopharma company with a purpose to unite science, technology and talent to get ahead of disease together. We aim to positively impact the health of 2.5 billion people by the end of the decade, as a successful, growing company where people can thrive. We get ahead of disease by preventing and treating it with innovation in specialty medicines and vaccines. We focus on four therapeutic areas: respiratory, immunology and inflammation; oncology; HIV; and infectious diseases - to impact health at scale.

People and patients around the world count on the medicines and vaccines we make, so we're committed to creating an environment where our people can thrive and focus on what matters most. Our culture of being ambitious for patients, accountable for impact and doing the right thing is the foundation for how, together, we deliver for patients, shareholders and our people.

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