Drug Discovery

Our drug discovery platform is deployed broadly by the global biopharma industry and validated by our collaborators' success across a variety of targets. 

 

OUR COMPUTATIONAL PLATFORM

The Schrödinger platform integrates predictive physics-based methods with machine learning techniques to accelerate drug discovery. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project chemistry are then further optimized through additional cycles of computation analysis.

The result: Our platform enables discovery of high-quality, novel molecules more rapidly, at lower cost, and we believe with a higher likelihood of success compared to traditional methods.

Hit to Development Candidate in 10 months: Rapid discovery of a novel, potent MALT1 inhibitor

Read the Case Study

Our platform's proprietary capabilities:

Faster Lead Discovery

The ability to rapidly identify potent molecules suitable to initiate hit-to-lead and lead optimization efforts via solutions for virtual screening...

Accurate Property Prediction

The ability to assess key properties of drug-like molecules using physics-based calculations with accuracy comparable to that of experimental...

Large-Scale Molecule Exploration

The ability to computationally ideate and explore novel, high-quality drug-like molecules for consideration by discovery project teams utilizing...

Large-Scale Molecule Evaluation

The ability to scale our calculations of key drug properties to ultra-large idea sets of over a billion molecules to enable more rapid and...

Integrated Data Management and Visualization

The ability to generate, access, and analyze the data derived from complex calculations integrated with assay data through a powerful and user-...
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AutoQSAR, Canvas, ConfGen, Core Hopping, CovDock, e-Pharmacophores, Epik, FEP+, Field-Based QSAR, Glide, Induced Fit, Jaguar, LigPrep, Macrocycles, MacroModel, Maestro, Membrane Permeability, MS Combi, MS Jaguar, OPLS3e, Phase, Prime, PrimeX, Protein Preparation Wizard, Protein-Ligand Database (PLDB), PyMOL, QikProp, QM-Polarized Ligand Docking, QSite, Shape Screening, SiteMap, WaterMap are all trademarks of Schrödinger.

  • THE VALUE OF THE SCHRÖDINGER PLATFORM

    Our computational platform gives you the tools to see familiar targets in new ways. Consider this case study, recently written up in Chemistry & Engineering News as part of an article on the allure of allosteric sites:

    Medicinal chemists just couldn’t come up with a small molecule to potently block ACC’s shallow, hydrophobic active site....[But Nimbus Therapeutics] and Schrödinger, its computational partner, probed the interaction to generate virtual ACC inhibitors that Nimbus’s chemists eventually turned into a drug candidate. The discovery process took just 18 months, and the drug candidate, firsocostat, was so promising that, in 2016, Gilead Sciences paid $400 million to license it from Nimbus.

  • THE VALUE OF THE SCHRÖDINGER PLATFORM

    We’re proud to collaborate with leading biopharmaceutical companies around the world. In the spotlight this month: Morphic Therapeutic.

    Morphic focuses on integrins -- receptors that lie at the heart of many cellular processes. The company recently signed high-profile research collaborations with AbbVie and Janssen Biotech. We’re delighted with these partnerships, which we hope will advance the drug discovery work we’ve done with Morphic into the clinic.

    Learn more about Morphic’s unique focus. 

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