Schrödinger (company)

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Schrödinger
Type Private
Industry
Founded 1990
Founder(s) 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
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.

References[edit]

  1. ^ "Business Week". http://investing.businessweek.com/research/stocks/private/snapshot.asp?privcapid=517729. 
  2. ^ a b "biz journal". 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. ^ "FierceBiotech". http://www.fiercebiotech.com/special-reports/nimbus-discovery-fiercebiotechs-2013-fierce-15. 
  5. ^ "CNET". Nov 2013. Retrieved 21 July 2014. 
  6. ^ "CycleComputing". http://www.cyclecomputing.com/discovery-invention/use-cases/. 
  7. ^ "arstechnica". 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. 

External links[edit]


Other institutions developing software for computational chemistry[edit]