Isomorphic Labs - Research Leader / Senior Research Investigator (Computational Drug Design), London
Requirements
• Essential: • Essential: • PhD in Computational Chemistry, or a related scientific field, or equivalent industrial experience. • 8+ / 5+ years of professional experience in a Computational Drug Design role, operating within a biotech, pharma or CRO setting. • Proven track record of project leadership / leading computational chemistry efforts on drug discovery programs, demonstrating significant contributions to project progression (ideally from hit identification through to lead optimisation or candidate nomination). • Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools to support cheminformatics and design workflows. • A genuine passion for drug discovery and enthusiasm for the potential of ML to transform the field. • Prior experience leveraging machine learning and generative AI methods for hit finding (e.g. ultra-large virtual screening and active learning), molecular design and lead optimisation (e.g. REINVENT, cofolding and AI-powered ligand/pose scoring methods). • For a people / program management position: experience of leading a high-performing scientific team, mentoring and empowering them to thrive in their roles. • Strong track record of scientific achievements, evidenced by publications, patents, and presentations. • Excellent communication (written and verbal) and interpersonal skills, with an ability to work effectively in a cross- functional, collaborative team environment. • Track record of strategic thinking and creative problem solving with a strong growth mindset, adaptability, and eagerness to learn new concepts and techniques. • Experience with using frontier large language models and systems • Knowledge of other specific drug discovery approaches like fragment-based drug design (FBDD), and alternative modalities like PROTACs, molecular glues, PPI inhibitors or stabilisers, peptides etc. • Understanding of drug metabolism and pharmacokinetics (ADME + DMPK) principles. • Culture and values • Culture and values • We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it. • ThoughtfulThoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day. • Thoughtful • BraveBrave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less. • Brave • DeterminedDetermined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we. • Determined • TogetherTogether at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere. • Together • Creating an extraordinary company • We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact. • We are committed to equal employment opportunities 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 protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know. • Hybrid working • Hybrid working • It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). 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. • would require you to be able to come into the office 3 days a week • Please note that when you submit an application, your data will be processed in line with our privacy policy. • >> Click to view other open roles at Isomorphic Labs
Responsibilities
• Collaborate cross-functionally to support the data-driven delivery of high quality scientific solutions to complex technical problems • Establish principles for embedding cutting-edge AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams. • Provide strategic input and technical direction to our ML platform teams. • Target Discovery: Successfully identify and validate therapeutic targets for early-stage portfolio projects • If Program Leadership: Champion the drug discovery pipeline, overseeing external collaborations (with CROs) and leading programs to meet critical go/no-go milestones. Prepare detailed scientific proposals and reports to support new and ongoing programs. • Embrace and champion our culture of inclusion and continuous professional development.
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