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The next great molecule is out there. We give you the tools to design it.

Maximize your creativity with the industry-leading computational platform for molecular design, discovery, and collaboration.

Structure Prediction & Target Enablement

Explore vast chemical space with digital chemistry

Get more from your ideas by harnessing the power of large-scale chemical exploration and highly accurate, in silico property predictions.

“Digital chemistry can expand the pool of hypotheses we can test. Ultimately we can unleash the power of our creativity.”
Adam LevinsonDirector, Therapeutics Group
life-science-bg Solutions for small molecule drug discovery

Solutions for small molecule drug discovery

Structure Prediction &
Target Enablement
01
Unlock your protein target for high-precision, structure-based design

Comprehensive suite of solutions for protein model refinement, ligand placement, and binding site analysis allows you to unlock a broader range of targets for structure-based design.

Hit Discovery
02
Maximize your chances of finding diverse, high-quality hits

Diverse technologies for structure-based and ligand-based screening that enable efficient, large-scale chemical exploration and highly accurate rescoring.

Hit-to-Lead & Lead Optimization
03
Design better quality drug candidates, faster

Collaborative design solutions and accurate property predictions to triage compounds and accelerate design-make-test-analyze cycles.

Drug Formulation
04
Optimize your drug formulation processes with structure-based insights

Computational solutions for advancing small molecule formulation, from crystalline or amorphous forms to selection of materials and excipients for processing, stability, and delivery.


Solutions for biologics drug discovery

Antibody Design
Antibody Design

Rationally design potent, safe, and developable monoclonal antibodies

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Peptide Discovery
Peptide Discovery

Rationally design peptidic drugs using structure-based in silico methods

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Enzyme Engineering
Enzyme Engineering

Efficiently optimize enzymes using structure-based design

Learn more

Use Cases

Explore how teams can apply Schrödinger technology to accomplish their work across industries.

Use Cases by Team Functions
BY TEAM FUNCTION
Computational Chemistry
Medicinal Chemistry
Research IT
Structural Biology
Use Cases by Industry
BY INDUSTRY
Biotech & Pharmaceuticals
Academics
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The leading computational platform for molecular design and discovery

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Computational platform for molecular design and discovery
Grounded in physics-based molecular modeling
Grounded in physics-based molecular modeling
Amplified by state-of-the-art machine learning
Amplified by state-of-the-art machine learning
Democratized across teams through collaborative enterprise informatics
Democratized across teams through collaborative enterprise informatics

Upcoming Events

  • Life Science
  • Conference

AI in Drug Discovery

Schrödinger is excited to be participating in the AI in Drug Discovery conference taking place on March 11th – 12th in London, United Kingdom. Stop by our booth to speak with Schrödinger scientists.

  • calendar icon Date & Time: Mar 11th-12th, 2024
  • location icon Location: London, United Kingdom
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Explore Educational Resources

Level up your skills with our comprehensive offering of educational resources

FEATURED COURSEIntroduction to Molecular Modeling for Drug Discovery

Introduction to molecular modeling in drug discovery

Introduction to molecular modeling in drug discovery

Learn protein preparation, ligand docking, collaborative design, and other fundamentals of small molecule drug discovery with Maestro and LiveDesign.

View all online courses