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Senior / Lead Computational Chemist

Background

Sygnature Discovery is a world-leading integrated drug discovery Contract Research Organisation based in the UK and Canada with its headquarters in Nottingham and additional facilities in Alderley Park, Macclesfield, Glasgow, Montreal and Quebec City. Its staff of over 1,000, includes 900 scientists, partners with global pharma, biotech and NFP organisations.

 

Since 2004, Sygnature Discovery has delivered over 40 novel pre-clinical and 22 clinical compounds, with its scientists named on over 170 patents. Therapeutic areas of expertise include oncology, inflammation and immunology, neuroscience, metabolic diseases, infectious diseases, fibrotic diseases and more. To find out more, please visit www.sygnaturediscovery.com.


Job purpose


An exciting opportunity has arisen for an experienced Senior or Lead Computational Chemist to join our Computational Chemistry group in either Alderley Park (UK) or Montreal (Canada). This is a hybrid role, with an expectation to be in the office 3- 4 times per week.

 

Our Computational Chemists play a pivotal role in driving cutting-edge research, utilising the latest scientific software and cloud-based technology to solve complex challenges for clients worldwide.

 

As an experienced Computational Chemist, you will bring broad expertise in drug discovery and compound design.  This is a project-driven role and you will be able to demonstrate your experience having worked on numerous drug discovery projects across multiple target families. This might include virtual screening and lead identification, hit-to-lead and lead optimisation projects.  While experience in fragment-based design projects is desirable, it is not essential.

 

This is an incredible opportunity to join a world-leading CRO, where you will collaborate on high-impact projects for top-tier clients while advancing your career in a dynamic and innovative environment.


Main duties and responsibilities:
  • Work on integrated drug discovery projects with some of the most high-profile global biotech and pharma companies.
  • Chance to train and develop expertise using the latest AI/ML software.
  • Learn about and apply new and emerging free energy methods on project datasets.
  • Be involved with a range of new modalities such as PROTACs, molecular glues, macrocycles and other beyond-rule-of-5 compounds.
  • Develop drug discovery knowledge by formal training and project experience.
  • Be part of an expanding group at the forefront of applying new software and techniques to drug discovery projects.


Skills and experience:
  • You will have a PhD in computational chemistry or a related discipline.
  • You will have worked on structure-based design projects and be familiar with this approach to optimise ligand binding. 
  • You will have experience of ligand-based design including development of ML or QSAR models. This would include core/fragment replacement work and focussed library design.
  • Familiarity with SAR analysis of project data sets and calculation of ADME/Tox relevant properties.
  • You will have carried out virtual screening, either using protein X-ray structures or a ligand-based method.
  • Protein sequence analysis and homology modelling - experience of multiple sequence alignment and homology modelling across numerous protein classes, including GPCRs, would be an advantage.
  • Familiarity with data pipelining tools and an ability to script in python is preferred.


Benefits

 

Here at Sygnature Discovery, we take pride in offering an excellent training and benefits package. As a valued employee, you will be entitled to:

 

- 25 days annual leave (rising with service) plus bank holidays, and buy/sell scheme

- Private Medical Insurance

- Life Insurance

- Employee Assistance Programme and mental health first aiders

- Enhanced Family Friendly Policies

- Sygnature Group Pension Scheme

- 1 paid volunteer day per year

- A host of flexible benefits to support your wellbeing and lifestyle

 

Why Sygnature Discovery

 

At Sygnature Discovery, we embody excellence in everything we do. From pioneering research to ground-breaking discoveries, we set the standard for scientific innovation. But it's collaboration that truly defines us. Across continents and disciplines, we unite to solve complex challenges, driven by a shared passion for improving lives worldwide.


We understand the importance of creating a work environment that empowers you to thrive. That’s why we have fostered a culture of collaboration and support, providing pathways for both professional and personal development. This includes a diverse range of bespoke training and development designed to accelerate both your personal and career growth.

 

We are committed to fostering diversity and inclusion throughout our organisation. We encourage applications from individuals of all backgrounds, ethnicity, gender identity, sexual orientation, disability, neurodiversity, age, family or parental status, beliefs, nationalities and religions. We strive to cultivate an inclusive environment where all our colleagues feel empowered to bring their true selves to work.

 

If you’re interested in joining a company that places people at the heart of its business, please submit your application as soon as possible as we will be interviewing on an ongoing basis.

 

If you have any questions or need further information, please contact the Talent Acquisition team at careers@sygnaturediscovery.com. Please do not submit your application to this email address. 

 

For more information on life at Sygnature Discovery, visit www.sygnaturediscovery.com/careers

Average salary estimate

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$80000K
$120000K

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What You Should Know About Senior / Lead Computational Chemist, Sygnature Discovery Limited

As a Senior / Lead Computational Chemist at Sygnature Discovery, you will find yourself at the forefront of drug discovery, utilizing your skills and expertise in a hybrid work environment. Whether joining us in Alderley Park, UK or Montreal, Canada, you’ll collaborate with a talented team of over 1,000 scientists delivering innovative solutions for major global biotech and pharmaceutical companies. Your role will involve using the latest scientific software and cloud-based technology to tackle complex challenges and drive pioneering research in various therapeutic areas, including oncology and infectious diseases. With a PhD in computational chemistry or a related discipline, you will bring substantial experience in structure-based drug design, virtual screening, and the development of machine learning (ML) or quantitative structure-activity relationship (QSAR) models. The opportunity to work on high-impact projects means you'll not only leverage your knowledge but also expand it through training in advanced AI/ML tools and novel drug modalities like PROTACs and macrocycles. At Sygnature Discovery, we create an inclusive environment that encourages continuous learning and professional development, ensuring you thrive both personally and professionally. Join us in our mission towards scientific excellence and make a difference in the world of drug discovery.

Frequently Asked Questions (FAQs) for Senior / Lead Computational Chemist Role at Sygnature Discovery Limited
What are the primary responsibilities of a Senior / Lead Computational Chemist at Sygnature Discovery?

In the role of a Senior / Lead Computational Chemist at Sygnature Discovery, your key responsibilities will include working on integrated drug discovery projects, collaborating with world-class biotech and pharmaceutical companies, and utilizing cutting-edge AI/ML technologies. You will engage in virtual screening, lead identification, and optimization projects while developing your expertise in new methodologies and techniques. This position is unique as it allows for both personal growth and contribution to pioneering drug discovery efforts across diverse therapeutic areas.

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What qualifications are required for the Senior / Lead Computational Chemist position at Sygnature Discovery?

To be considered for the Senior / Lead Computational Chemist role at Sygnature Discovery, candidates must hold a PhD in computational chemistry or a closely related field. Experience in structure-based and ligand-based drug design, alongside proficiencies in using modern computational tools and scripting in Python, are also essential. The ability to analyze SAR data and apply new free energy methods would greatly enhance your contribution to our innovative projects.

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What skills should a candidate possess for the Senior / Lead Computational Chemist role at Sygnature Discovery?

Ideal candidates for the Senior / Lead Computational Chemist position at Sygnature Discovery should possess strong analytical and problem-solving skills, with hands-on experience in drug discovery methods. Familiarity with virtual screening techniques, ligand-based design, and an understanding of ADME/Tox properties is crucial. Additionally, a background in machine learning application, protein sequence analysis, and data pipelining will position you for success within our dynamic team.

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How can working as a Senior / Lead Computational Chemist at Sygnature Discovery influence my career?

Joining Sygnature Discovery as a Senior / Lead Computational Chemist presents a significant opportunity for career advancement. You'll be involved in high-impact projects that push the boundaries of drug discovery while developing your skills through access to the latest software and protocols. The collaborative culture encourages knowledge sharing and mentorship, positioning you to expand your professional network and enhance your expertise in the field.

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What benefits does Sygnature Discovery offer to its Senior / Lead Computational Chemist employees?

At Sygnature Discovery, we recognize the value each employee brings to the team, which is why we offer an attractive benefits package. Senior / Lead Computational Chemists can enjoy 25 days of annual leave, private medical insurance, life insurance, a robust pension scheme, and many opportunities for personal development, all designed to support your well-being and enhance your career journey.

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Common Interview Questions for Senior / Lead Computational Chemist
Can you describe your experience with structure-based drug design as a Senior / Lead Computational Chemist?

In answering this question, share specific projects where you utilized structure-based design techniques. Discuss the software you used, the challenges you faced, and how you optimized ligand binding through your methodologies.

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What computational tools do you prefer for virtual screening and why?

Highlight your familiarity with various virtual screening tools, possibly discussing the strengths and weaknesses of those you're comfortable with. Emphasize how you choose a tool based on the specific project requirements and goals.

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How do you approach hit-to-lead and lead optimization projects?

Discuss your systematic approach to hit-to-lead and lead optimization. Provide examples of specific strategies or methodologies you've found successful in previous roles while demonstrating your analytical skills and attention to detail.

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What is your experience in moderating and leading a computational chemist team?

Share insights into your leadership style and how you've successfully managed a team of computational chemists. Include examples of projects where you guided team members, contributed to their professional development, and cultivated a collaborative atmosphere.

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Explain how you have utilized machine learning in your drug discovery projects.

Give an overview of your experience with ML applications, citing specific projects where you developed or implemented ML models or algorithms. Discuss how these techniques improved your outcomes in drug discovery efforts.

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How do you stay current with emerging computational chemistry methodologies?

Express your commitment to continuous learning by sharing resources such as journals, conferences, and professional networks. Highlight specific examples of how you've applied newly learned methodologies in your work.

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How would you evaluate the ADME/Tox properties of a lead compound?

Discuss the key factors you assess when evaluating ADME/Tox properties, such as absorption, distribution, metabolism, excretion, and toxicity. Provide examples of tools or models you use to predict these properties effectively.

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What strategies do you use for effective SAR analysis?

Outline your approach to SAR analysis, including data collection, statistical analysis methods, and how you identify trends or correlations that inform compound optimization.

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Describe a challenging project in drug discovery you worked on and how you overcame obstacles.

Prepare to discuss a specific example that demonstrates your problem-solving skills. Focus on the challenges faced, the decision-making process you employed, and the eventual outcome of the project.

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What role do you envision for a Senior / Lead Computational Chemist in innovation within drug discovery at Sygnature Discovery?

Articulate your vision for how the Senior / Lead Computational Chemist can drive innovation through collaboration, advanced methodologies, and embracing technologies that can enhance drug discovery processes at Sygnature Discovery.

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Sygnature Discovery is a world-leading integrated drug discovery and non-clinical solutions provider, offering expertise across a broad range of therapeutic areas and biological target classes. Sygnature Discovery was founded in 2004 and is headqu...

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March 22, 2025

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