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Computational Chemist, Target Druggability and Structure-Based Design

Schrödinger

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Questions you are likely to be asked

  1. Why do you want to join Schrödinger?
  2. Tell me about design feedback you disagreed with. What happened?
  3. How do you test a design with users before it is built?
  4. How do you work with developers so the build matches the design?
  5. 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
 
Pay and perks:
Schrödinger understands it’s people that make a company great. Because of this, we’re prepared to offer a competitive salary, equity-based compensation, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We have a company culture that is relaxed, but engaged, and over a month of paid vacation time.  Our Office Management team also plans a myriad of fun company-wide events. New York is home to our largest office, but we have teams all over the world. Schrödinger is honored to have been included in Crain's New York Best Places to Work, BuiltIn's NYC Best Place to Work, and Newsweek's list of America's 100 Most Loved Workplaces. 
 
Estimated base salary range: $100,000 - $180,000. Actual compensation package is dependent on a number of factors, including, for example, experience, education, degrees held, market data, and business needs. If you have any questions regarding the compensation for this role, do not hesitate to reach out to a member of our Strategic Growth team. 
 
Sound exciting? Apply today and join us!
 
As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, sexual orientation, or any other protected characteristic. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.

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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.