Computational Chemist, Target Druggability and Structure-Based Design
Schrödinger
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This role on the market
45 open computational roles across 25 companies are on ApplySarthi right now, most of them in Hyderabad (2).
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- Industrial Placement Student - Data Expert, Integration & Delivery, Data Capability, DDC, Computational Sciences Center of ExcellenceRoche
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- Associate Director (m/f/d), DevOps & Software Engineering, Computational PathologyAstrazeneca
What computational roles keep asking for: Machine learning (56%), Python (53%), R (29%), Deep learning (16%), Stakeholder management (13%) — counted across their open postings here.
Schrödinger has 41 open roles listed here.
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Counted across 14 company job boards, updated as roles open and close.
Preparing for this interview
Interviews for computational roles keep coming back to Machine learning, Python, R, Deep learning. Practise those questions before you sit with Schrödinger.
Questions you are likely to be asked
- Why do you want to join Schrödinger?
- Tell me about design feedback you disagreed with. What happened?
- How do you test a design with users before it is built?
- How do you work with developers so the build matches the design?
- How do you balance what users ask for with what the business needs?
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Practise the Computational Chemist, Target Druggability and Structure-Based Design at Schrödinger interview free →Schrödinger seeks a Computational Chemist (Target Druggability and Structure-Based Drug Design) to join us in our mission to transform the discovery of therapeutics!
As a member of the Schrödinger Therapeutics Group (STG), you’ll join a team of over 60 scientists that includes designers, modelers, computational chemists, medicinal chemists, crystallographers, biochemists, and biologists with experience working on all common target classes and therapeutic areas. The group is supported by more than 100 software developers and engineers, as well as a large-scale computer infrastructure.
Who will love this job:
- A structure-based drug designer with deep training in molecular modelling, with an emphasis on the following areas: structural biology, computationally-driven lead optimization, virtual ligand screening, generative structure prediction, or cryptic pocket identification.
- A scientist trained cross-functionally, with experience in both computational chemistry and experimental structural biology or experimental hit-finding environments
- A team player who enjoys working in interdisciplinary environments and has excellent communication skills
What you’ll do:
- Support active drug discovery projects as a computational chemist/modeler
- Contribute to new-target selection by integrating structural, computational, biophysical, and biological evidence into concise target-tractability assessments, identifying key uncertainties and proposing experiments or calculations that could resolve them.
- Partner with cross-functional experts to develop strategies for promising targets, including approaches to investigate alternative conformations or potential transient binding sites.
- Work closely with the internal software development teams to improve Schrödinger’s drug discovery technologies.
- Share knowledge with the greater Schrödinger Therapeutic Group (STG)
What you should have:
- PhD in Computational Chemistry, Structural Biology, or a related discipline
- Experience in structure-based drug design and the ability to critically interpret protein structures in the context of ligand binding, drawing on modern computational and experimental approaches for structure prediction and cryptic pocket identification
- Postdoctoral experience and/or at least one year of industry experience preferred
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Listed on greenhouse · posted 2026-10-27. ApplySarthi collects openings and links to application pages; the role is advertised by Schrödinger, not by us.