Schrödinger, Inc.

Schrödinger, Inc. is an international scientific software and biotechnology company that specializes in developing computational tools and software for drug discovery and materials science.

Schrödinger's software is used by pharmaceutical companies, biotech, tech, chemicals, energy, aerospace firms, and academic researchers to simulate and model the behavior of molecules at the atomic level. This accelerates the design and develops new drugs and materials more efficiently, reducing the time and cost of bringing them to market.

Schrödinger's software tools include molecular dynamics simulations, free energy calculations, quantum mechanics calculations, and virtual screening tools. The company also offers consulting services and collaborates with partners in the industry to advance the field of computational chemistry and drug discovery.

Products and services

Schrödinger's computational platforms evaluate compounds in silico, with experimental accuracy on properties such as binding affinity and solubility. The company's products include molecular modeling programs in life science,[2] and Materials Science [3].,and an Enterprise Informatics Platform named LiveDesign, which is intended to facilitate communication among interdisciplinary research teams.[4]

Life Science Applications

Small Molecular Discovery

  • Structure Prediction & Target Enablement
  • Hit Discovery
  • Hit-to-Lead & Lead Optimization
  • Drug Formulation

Biologics Discovery

  • Antibody Design
  • Peptide Discovery
  • Enzyme Engineering

Small Molecular Discovery

  • Structure Prediction & Target Enablement
  • Hit Discovery
  • Hit-to-Lead & Lead Optimization
  • Drug Formulation

Biologics Discovery

  • Antibody Design
  • Peptide Discovery
  • Enzyme Engineering

Material Science Applications

In addition to computational platforms, Schrödinger develops custom software for enterprises, as well as training, computer-cluster design and implementation, and research-based drug discovery projects.[5][6]

Schrödinger software licenses are available to academic institutions for education and not-for-profit research.[7]

  • Organic Electronics
  • Polymeric Materials
  • Consumer Packaged Goods
  • Catalysis & Reactivity
  • Thin Film Processing Energy Capture & Storage
  • Pharmaceutical Formulations & Delivery
  • Metals, Alloys & Ceramics

Partners

Schrödinger's partners include pharmaceutical companies, including Bayer,[8][9] Takeda,[10] heavy industries, including Boeing,[11] Sabic,[12] and more.

Nimbus Therapeutics, co-founded by Schrödinger, uses Schrödinger's drug screening and design platform for drug discovery. In 2016, Nimbus Therapeutics sold an Acetyl-CoA carboxylase (ACC) inhibitor designed by Schrödinger to Gilead Sciences in a deal worth up to $1.2 billion.[13] As of spring 2019 the ACC inhibitor was moving through late-stage clinical trials in non-alcoholic steatohepatitis.[14]

Recognition

In November 2013, Schrödinger, in collaboration with Cycle Computing and the University of Southern California, set a record for the world's largest and fastest cloud computing run by using 156,000 cores on Amazon Web Services to screen over 205,000 molecules for materials science research.[15] That work was a follow-up to a 2012 collaboration which saw Cycle Computing creating a 50,000 core virtual supercomputer using Amazon and Schrödinger's infrastructure; at that time, it was used to analyze 2.1 million compounds in 3 hours.[16]

References

  1. Schrödinger Reports Strong Fourth Quarter and Full-Year 2023 Financial Results ir.schrodinger.com, retrieved 2 Feb 2024^
  2. Life science Schrödinger, retrieved 2025-09-19^
  3. Materials science Schrödinger, retrieved 2025-09-19^
  4. LiveDesign LiveDesign^
  5. Bruce Booth. The Nimbus Experiment: Structure-Based Drug Deals Forbes, June 27, 2013^
  6. Schrodinger and Professor Mark E. Thompson (USC) Announce Research Collaboration to Enable Computer'Aided Design of Organic Semiconductor Materials June 2013, retrieved 20 October 2014^
  7. Academic Site License Schrödinger, retrieved 2024-12-06^
  8. Schrödinger and Bayer Collaborate to Co-Develop de novo Design Technology to Accelerate Drug Discovery Schrödinger, 8 January 2020, retrieved 12 March 2021^
  9. Alexander Hillisch. A Digital Platform for Molecular Design: Inside the Schrödinger-Bayer Collaboration extrapolations.com, 6 January 2022, retrieved 15 June 2023^
  10. Angus Liu. Takeda, Schrödinger form multiprogram drug discovery pact FierceBiotech, July 20, 2017^
  11. Carla E. Estridge. The effects of competitive primary and secondary amine reactivity on the structural evolution and properties of an epoxy thermoset resin during cure: A molecular dynamics study Polymer, 2018-04-11^
  12. Alex K Chew, Mohammad Atif Faiz Afzal, Anand Chandrasekaran, Jan Henk Kamps, Vaidya Ramakrishnan. Designing the next generation of polymers with machine learning and physics-based models Machine Learning: Science and Technology, 2024-11-04^
  13. Amy Flood, Patrick O’Brien, Liz Melone. Gilead Sciences Announces Acquisition of Nimbus Therapeutics' Acetyl-CoA Carboxlyase (ACC) Program for NASH and Other Liver Diseases www.businesswire.com, 2016-04-04, retrieved 2019-06-19^
  14. Gilead Announces Topline Data From Phase 3 STELLAR-3 Study of Selonsertib in Bridging Fibrosis (F3) Due to Nonalcoholic Steatohepatitis (NASH) www.gilead.com, retrieved 2019-06-19^
  15. Stephen Shankland. Supercomputing simulation employs 156,000 Amazon processor cores CNet, November 12, 2013^
  16. Jon Brodkin. $4,829-per-hour supercomputer built on Amazon cloud to fuel cancer research Ars Technica, April 19, 2012^