Director of Computational Biology

Vor 7 Tagen

Lausanne, Schweiz Isomorphic Labs Vollzeit

at Isomorphic Labs

Lausanne

**Molecular Dynamics Lead, London or Lausanne**:
This is an extraordinary opportunity to join a new Alphabet company that will reimagine drug discovery through a computational
- and AI-first approach.

We are assembling a world-class, multi-disciplinary team who want to drive forward groundbreaking innovations. As one of the first members of this pioneering organisation, you will play a meaningful role in building this team, embodying an inspiring, collaborative and entrepreneurial culture.

This early-stage venture is on a mission to accelerate the speed, increase the efficacy and lower the cost of drug discovery. You’ll be working at the cutting edge of the new era of ‘digital biology’ and advancing a new type of biotech that will deliver transformative social impact for the benefit of millions of people.

**Your impact**:
This is an exciting opportunity to contribute to a new initiative, working closely with world leading computational chemists and AI experts to devise imaginative approaches to developing the next generation of medicines. As a Molecular Dynamics Lead, you will be foundational in the creation of an AI driven drug-discovery platform.

There is some degree of flexibility around the level of seniority in this position; this will depend on your skills and experience.

**What you will do**:

- Develop advanced molecular dynamics simulation techniques that leverage and augment machine learning approaches.
- Devise novel ways to model complex systems and work with other experts to validate their accuracy
- In partnership with engineers, researchers and product managers, integrate cutting edge techniques into the drug discovery platform and ensure they are robust, maintainable and easily used by scientists
- Design software capable of generating insights across a wide range of biological systems which performs well at scale on modern GPU hardware
- Maintain an awareness of the current state-of-the art, identifying promising new computational methodologies or technologies that could benefit drug discovery.
- Develop and implement these methodologies through internal / external collaboration.

**Skills and qualifications**:
**Essential**:

- PhD in Physics, Chemistry or Computational Chemistry, or equivalent experience in scientific research.
- **Expert user of leading molecular dynamics modelling packages**, as this will be a particular focus of the role.
- Extensive experience working in computational chemistry or structure-based drug design (FEP, docking, molecular dynamics).
- Knowledge of cheminformatics methods and databases.
- Familiarity with data pipelining tools and an ability to script in python is preferred.
- Extensive experience modelling protein-ligand systems and deriving novel approaches.
- Expert with setting up and running free energy perturbation calculations on GPUs
- Experience developing open-source and commercial software for drug-discovery.

**Nice to have**:

- Demonstrated success in delivering high quality research impact.
- Experience of modern machine learning and AI methods.
- Experience presenting and influencing at executive level.
- Experience with forcefield creation.
- Experience using the latest ML methods.
- Familiarity with AlphaFold.
- Experience running jobs on Cloud-based infrastructure at scale.

**Behaviours and attributes**:

- Grounded and original thinker: Combines the best from industry with new ideas and creative approaches, taking well-informed risks to advance progress
- Motivated by purpose and impact: Self-directed, chooses the most effective path to maximise impact in pursuit of higher level purpose, operates at pace with a clear bias for action
- Experimental: Comfortable with ambiguity, embraces new ideas, responds quickly and adapts to maximise opportunities
- Collaborative and inclusive: Willing to go the extra mile, works beyond role remit and builds strong partnerships with a variety of collaborators
- Curious mindset: Strong interest in self-development, learns from setbacks as well as successes

**Hybrid working**: It’s hugely important for us to be able to share knowledge and establish relationships with each other, and we find it easier to do this if we spend time together in person. This is why we’ve decided to follow a hybrid model, and would **require you to be able to come into the office 3 days a week** (currently Tue, Wed, and one other day depending on which team you’re in). As an equal opportunities employer we are committed to building an equal and inclusive team. If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.

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