Schrödinger (company)

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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[edit]

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 Schrodinger 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[edit]

Schrödinger's full product offerings range from general molecular modeling programs to a comprehensive suite of drug design software, as well as a state-of-the-art suite for materials research. Schrödinger is developing enterprise level software that can be deployed throughout an entire research organization, and the company is committed to helping its customers realize its products' full potential benefits through unparalleled support and collaborations. 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] and PyMOL.

Services[edit]

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.[15][16][17][18] 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.[17][19]

Partners[edit]

Schrödinger is a partner with Nimbus Discovery, which uses Schrödinger’s drug screening and design platform in combination with a unique virtual, globally distributed model for drug discovery.[16][17][20][21]

Awards and Recognition[edit]

Winner of the 2014 BioIT World Best Practices Award in the category of IT Infrastructure.[19][20]

References[edit]

  1. ^ "Business Week Company Profile: Schrödinger". http://investing.businessweek.com/research/stocks/private/snapshot.asp?privcapid=517729. 
  2. ^ a b "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". http://www.fiercebiotech.com/special-reports/nimbus-discovery-fiercebiotechs-2013-fierce-15. 
  5. ^ "Supercomputing simulation employs 156,000 Amazon processor cores". Nov 2013. Retrieved 21 July 2014. 
  6. ^ "The MegaRun". http://www.cyclecomputing.com/discovery-invention/use-cases/. 
  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). -scitech3 "Water's Role in Drug Discovery". Chem. Eng. News 90 (11): 64–65. doi:10.1021/cen-09011_-scitech3. 
  15. ^ "Schrödinger and Tri-Institutional Therapeutics Discovery Institute Announce Agreement to Provide Drug Discovery Software to Tri-Institutional Researchers". Sep 2013. Retrieved 20 October 2014. 
  16. ^ a b "Nimbus - Alliances". Oct 2014. Retrieved 20 October 2014. 
  17. ^ a b c "The Nimbus Experiment: Structure-Based Drug Deals". June 2013. Retrieved 20 October 2014. 
  18. ^ "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. 
  19. ^ a b "bioit". July 2013. Retrieved 20 October 2014. 
  20. ^ a b "Schrödinger's New Platform for Real-Time Collaboration on Drug Design". April 2014. Retrieved 20 October 2014. 
  21. ^ "Discovering Nimbus". March 2011. Retrieved 20 October 2014. 

External links[edit]


Other institutions developing software for computational chemistry[edit]