Schrödinger (company)

Schrödinger
Private
Industry
Founded 1990
Founder Richard A. Friesner,
William A. Goddard III
Headquarters New York, NY
Area served
 Worldwide
Key people
 Ramy Farid (President), Charles Ardai (Chairman of the Board)
Products
  • Small-Molecule Drug Discovery Suite
  • Biologics Suite
  • Materials Science Suite
  • Discovery Informatics Suite
  • PyMOL
Number of employees
 250+
Website Official page

Schrödinger, LLC is an American software company that develops chemical simulation software for use in pharmaceutical, biotechnology, and materials science research. The company provides products ranging from general molecular modeling programs to a full suite of chemical simulation and drug design software, including ligand- and structure-based methods. It also provides products in various research areas, including small molecule modeling and simulations, macromolecular modeling and simulations, lead discovery, lead optimization, and visualization and automation. The company’s software helps scientists to accelerate their research and development activities, as well as to make novel discoveries. Founded in 1990, Schrödinger is headquartered in New York City, with operations in Oregon, California, Massachusetts, Germany, France, India, the United Kingdom, and Japan.[1]

Company

Schrödinger major offices are located New York and Portland.[2] Bill Gates invested $10 million in 2010 through his investment company Cascade under conditions that it is to be spent only for research and development.[3] Gates invested another $20 million in Schrödinger in December 2012.[2] In September 2013, Nimbus Discovery, a strategic partner of Schrödinger, was named one of FierceBiotech's "2013 Fierce 15" in recognition of the company's novel business strategies and technology.[4] 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.[5][6] This work was a follow up to a collaboration in 2012 in which Cycle Computing created a 50,000 core virtual supercomputer using Amazon infrastructure and Schrödinger's Glide program was used to analyze 2.1 million compounds in only 3 hours.[7]

Products

Schrödinger's full product offerings range from general molecular modeling programs to a comprehensive suite of drug design software, as well as a suite for materials research. Python APIs exist for most of the software tools developed by Schrödinger, making it possible to build custom workflows. Some of its software are: Canvas,[8] Glide,[9] Induced Fit,[10] Phase,[11] SiteMap,[12] WaterMap,[13][14] PyMOL, and FEP+.[15][16][17]

Services

In addition to its software platforms Schrödinger provides professional services including custom software development and training, computer-cluster design and implementation, and research-based drug discovery projects.[18][19][20][21] These professional services are provided to commercial, academic, and government organizations to assist with small-molecule design, biologics design, materials science applications, and implementation of enterprise-level informatics.[20][22]

Partners

Schrödinger is a partner with Nimbus Discovery, which uses Schrödinger’s drug screening and design platform in combination with a virtual, globally distributed model for drug discovery.[19][20][23][24] In April 2016, Nimbus announced that Gilead will acquire Nimbus Apollo, Inc., a wholly owned subsidiary of Nimbus Therapeutics, and its Acetyl-CoA Carboxylase (ACC) inhibitor program. Nimbus Therapeutics will receive an upfront payment of $400 million, with the potential to receive an additional $800 million in development-related milestones over time.[25][26][27][28] In April 2015, Sanofi signed a $120M drug discovery deal with Schrödinger.[29][30] In January 2016, Schrödinger announced a research collaboration with Pfizer to develop a computational model for predicting key biotherapeutic properties.[31]

Awards and Recognition

In recognition of his contributions to original research in the field of computational chemistry, Schrödinger founder Prof. Richard A. Friesner was elected to the National Academy of Sciences in 2016,[32] and to the American Academy of Arts and Sciences in 2008.[33][34] In 2014, Schrödinger was awarded the BioIT World Best Practices Award in the category of IT Infrastructure.[22][35]

References

  1. ↑ "Business Week Company Profile: Schrödinger". Retrieved 28 August 2013.
  2. 1 2 "Schrodinger receives another $20M from Bill Gates". Dec 2012. Retrieved 28 August 2013.
  3. ↑ Siemers, Erica (24 May 2010). "Bill Gates' cash boosts drug company Schrodinger LLC". Portland Business Journal. Retrieved 28 August 2013.
  4. ↑ "Nimbus Discovery - 2013 Fierce 15". Retrieved 21 July 2014.
  5. ↑ "Supercomputing simulation employs 156,000 Amazon processor cores". Nov 2013. Retrieved 21 July 2014.
  6. ↑ "The MegaRun". Retrieved 21 July 2014.
  7. ↑ "$4,829-per-hour supercomputer built on Amazon cloud to fuel cancer research". Apr 2012. Retrieved 21 July 2014.
  8. ↑ Duan, J.; Dixon, S.L.; Lowrie, J.F.; Sherman, W. (2010). "Analysis and Comparison of 2D Fingerprints: Insights into Database Screening Performance Using Eight Fingerprint Methods". J. Molec. Graph. Model. 29 (2): 157–170. doi:10.1016/j.jmgm.2010.05.008. PMID 20579912.
  9. ↑ Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren, T. A.; Sanschagrin, P. C.; Mainz, D. T. (2006). "Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes". Journal of Medicinal Chemistry. 49 (21): 6177–6196. doi:10.1021/jm051256o. PMID 17034125.
  10. ↑ Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R. (2006). "Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects". Journal of Medicinal Chemistry. 49 (2): 534–553. doi:10.1021/jm050540c. PMID 16420040.
  11. ↑ Dixon, S. L.; Smondyrev, A. M.; Knoll, E. H.; Rao, S. N.; Shaw, D. E.; Friesner, R. A. (2006). "PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results". J. Comput. Aided Mol. Des. 20 (10-11): 647–671. doi:10.1007/s10822-006-9087-6. PMID 17124629.
  12. ↑ Halgren, T. (2009). "Identifying and Characterizing Binding Sites and Assessing Druggability". J. Chem. Inf. Model. 49 (2): 377–389. doi:10.1021/ci800324m. PMID 19434839.
  13. ↑ Robert Abel; Tom Young; Ramy Farid; Bruce J. Berne; Richard A. Friesner (2008). "Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding". J. Am. Chem. Sco. 130 (9): 2817–2831. doi:10.1021/ja0771033. PMID 18266362.
  14. ↑ Elizabeth K. Wilson (2012). "Water's Role in Drug Discovery". Chem. Eng. News. 90 (11): 64–65. doi:10.1021/cen-09011_-scitech3.
  15. ↑ Steinbrecher, Thomas B.; Dahlgren, Markus; Cappel, Daniel; Lin, Teng; Wang, Lingle; Krilov, Goran; Abel, Robert; Friesner, Richard; Sherman, Woody (2015-11-23). "Accurate Binding Free Energy Predictions in Fragment Optimization". Journal of Chemical Information and Modeling. 55 (11): 2411–2420. doi:10.1021/acs.jcim.5b00538. ISSN 1549-9596.
  16. ↑ Wang, Lingle; Deng, Yuqing; Knight, Jennifer L.; Wu, Yujie; Kim, Byungchan; Sherman, Woody; Shelley, John C.; Lin, Teng; Abel, Robert (2013-02-12). "Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors". Journal of Chemical Theory and Computation. 9 (2): 1282–1293. doi:10.1021/ct300911a. ISSN 1549-9618.
  17. ↑ Wang, Lingle; Wu, Yujie; Deng, Yuqing; Kim, Byungchan; Pierce, Levi; Krilov, Goran; Lupyan, Dmitry; Robinson, Shaughnessy; Dahlgren, Markus K. (2015-02-25). "Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field". Journal of the American Chemical Society. 137 (7): 2695–2703. doi:10.1021/ja512751q. ISSN 0002-7863.
  18. ↑ "Schrödinger and Tri-Institutional Therapeutics Discovery Institute Announce Agreement to Provide Drug Discovery Software to Tri-Institutional Researchers". Sep 2013. Retrieved 20 October 2014.
  19. 1 2 "Nimbus - Alliances". Oct 2014. Retrieved 20 October 2014.
  20. 1 2 3 "The Nimbus Experiment: Structure-Based Drug Deals". June 2013. Retrieved 20 October 2014.
  21. ↑ "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.
  22. 1 2 "bioit". July 2013. Retrieved 20 October 2014.
  23. ↑ "Schrödinger's New Platform for Real-Time Collaboration on Drug Design". April 2014. Retrieved 20 October 2014.
  24. ↑ "Discovering Nimbus". March 2011. Retrieved 20 October 2014.
  25. ↑ "Gilead Sciences Announces Acquisition of Nimbus Therapeutics' Acetyl-CoA Carboxlyase (ACC) Program for NASH and Other Liver Diseases". April 2016. Retrieved 4 April 2016.
  26. ↑ "Nimbus Delivers Its Apollo Mission: A $1.2B Gilead Partnership". April 2016. Retrieved 4 April 2016.
  27. ↑ "Gilded Apollo: Gilead takes Nimbus program for potential $1.2B". April 2016. Retrieved 4 April 2016.
  28. ↑ "GILEAD SCIENCES ANNOUNCES ACQUISITION OF NIMBUS THERAPEUTICS' ACETYL-COA CARBOXYLASE (ACC) PROGRAM FOR NASH AND OTHER LIVER DISEASES". April 2016. Retrieved 4 April 2016.
  29. ↑ "Schrödinger's New Platform for Real-Time Collaboration on Drug Design". April 2015. Retrieved 8 April 2015.
  30. ↑ "Sanofi Bets on Schrödinger". April 2015. Retrieved 8 April 2015.
  31. ↑ "Schrödinger Announces Research Collaboration with Pfizer Inc.". Jan 2015. Retrieved 9 Jan 2015.
  32. ↑ National Academy of Sciences Members and Foreign Associates Elected
  33. ↑ American Academy of Arts & Sciences 2008 Class of Fellows and Foreign Honorary Members
  34. ↑ 2008 Class of Fellows and Foreign Honorary Members
  35. ↑ "The Cloud's the Limit: Rentable Supercomputers for Improving Drug Discovery". July 2011. Retrieved 20 October 2014.

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