Computational Drug Discovery Scientist


Schrödinger’s mission is to revolutionize drug discovery through the use of breakthrough computational methods.  We are currently looking for outstanding individuals to join our drug discovery group and contribute to our rapidly expanding portfolio of drug discovery collaborations.


Our drug discovery group of around 100 scientists 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 computing infrastructure. Four of the programs we’ve worked on in the past 7 years have progressed into the clinic; two are still progressing through trials and two have been approved by the FDA. 


We are looking for a highly motivated scientist with experience in structure-based molecular simulations, computer aided drug design, and/ or free energy methods to join the team and apply cutting-edge computational approaches to advancement of drug discovery projects .



  • Actively collaborate with synthetic chemists , biologists and other modelers in drug discovery projects
  • Provide computational chemistry/modeling support to active drug discovery projects
  • Help develop and execute next generation modeling approaches in drug discovery
  • Work closely with the internal software development teams to improve Schrödinger’s drug discovery technologies


Essential Qualifications, Skills and Experience:

  • D. in computational chemistry, organic chemistry, computational biology, physics or related fields
  • Experience in structure-based molecular simulations, free energy methods, or computer aided drug design.
  • Demonstrated track record of solving research problems and/or methods development
  • Excellent communication skills


Desired Skills and Experience:

  • Experience in two or more of the following molecular modeling areas: virtual ligand screening, computationally-driven lead optimization, ligand-based drug design, molecular dynamics, homology modeling, quantum mechanics, cheminformatics
  • Exposure to one or more other disciplines of relevance to drug discovery, such as medicinal chemistry, synthetic organic chemistry, pharmacology, toxicology, formulation, biochemistry, physical chemistry or analytical chemistry
  • Experience with programming, scripting languages, or software development.
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, or sexual orientation. 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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