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==Products==
==Products==
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,<ref>{{cite journal | doi=10.1016/j.jmgm.2010.05.008 | journal=J. Molec. Graph. Model. | author=Duan, J.; Dixon, S.L.; Lowrie, J.F.; Sherman, W. | year=2010 | title=Analysis and Comparison of 2D Fingerprints: Insights into Database Screening Performance Using Eight Fingerprint Methods | pages=157–170 | volume=29 | issue=2 | url=http://www.jcheminf.com/content/3/S1/P1 | pmid= 20579912}}</ref> Glide,<ref>{{cite journal | doi=10.1021/jm051256o | journal=Journal of Medicinal Chemistry | author=Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren,T. A.; Sanschagrin, P. C.; Mainz, D. T. | year=2006 | title=Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes | pages=6177–6196 | volume=49 | issue=21 | url=http://pubs.acs.org/doi/abs/10.1021/jm051256o | pmid=17034125}}</ref> Induced Fit,<ref>{{cite journal | doi=10.1021/jm050540c | journal=Journal of Medicinal Chemistry | author=Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R. | year=2006 | title=Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects | pages=534–553 | volume=49 | issue=2 | url=http://pubs.acs.org/doi/abs/10.1021/jm050540c | pmid=16420040 }}</ref> Phase,<ref>{{cite journal | doi=10.1007/s10822-006-9087-6 | journal= J. Comput. Aided Mol. Des. | author=Dixon, S. L.; Smondyrev, A. M.; Knoll, E. H.; Rao, S. N.; Shaw, D. E.; Friesner, R. A. | year=2006 | title=PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results | pages=647–671 | volume=20 | issue=10-11 | url=http://www.springerlink.com/content/n812166552w35468/?MUD=MP | pmid= 17124629 }}</ref> SiteMap,<ref>{{cite journal | doi=10.1021/ci800324m | journal= J. Chem. Inf. Model. | author=Halgren, T. | year=2009 | title=Identifying and Characterizing Binding Sites and Assessing Druggability | pages=377–389 | volume=49 | issue=2 | url=http://pubs.acs.org/doi/abs/10.1021/ci800324m | pmid= 19434839 }}</ref> WaterMap,<ref>{{cite journal | doi=10.1021/ja0771033 | journal= J. Am. Chem. Sco. | author=Robert Abel, Tom Young, Ramy Farid, Bruce J. Berne, Richard A. Friesner | year=2008 | title=Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding | pages=2817–2831 | volume=130 | issue=9 | url=http://pubs.acs.org/doi/abs/10.1021/ja0771033 | pmid= 18266362 }}</ref> <ref>{{cite journal | journal= Chem. Eng. News | author=Elizabeth K. Wilson | year=2012 | title=Water's Role in Drug Discovery| pages=64-65 | volume=90 | issue=11 | url=http://pubs.acs.org/doi/abs/10.1021/cen-09011 -scitech3}}</ref> and [[PyMOL]].
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,<ref>{{cite journal | doi=10.1016/j.jmgm.2010.05.008 | journal=J. Molec. Graph. Model. | author=Duan, J.; Dixon, S.L.; Lowrie, J.F.; Sherman, W. | year=2010 | title=Analysis and Comparison of 2D Fingerprints: Insights into Database Screening Performance Using Eight Fingerprint Methods | pages=157–170 | volume=29 | issue=2 | url=http://www.jcheminf.com/content/3/S1/P1 | pmid= 20579912}}</ref> Glide,<ref>{{cite journal | doi=10.1021/jm051256o | journal=Journal of Medicinal Chemistry | author=Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren,T. A.; Sanschagrin, P. C.; Mainz, D. T. | year=2006 | title=Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes | pages=6177–6196 | volume=49 | issue=21 | url=http://pubs.acs.org/doi/abs/10.1021/jm051256o | pmid=17034125}}</ref> Induced Fit,<ref>{{cite journal | doi=10.1021/jm050540c | journal=Journal of Medicinal Chemistry | author=Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R. | year=2006 | title=Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects | pages=534–553 | volume=49 | issue=2 | url=http://pubs.acs.org/doi/abs/10.1021/jm050540c | pmid=16420040 }}</ref> Phase,<ref>{{cite journal | doi=10.1007/s10822-006-9087-6 | journal= J. Comput. Aided Mol. Des. | author=Dixon, S. L.; Smondyrev, A. M.; Knoll, E. H.; Rao, S. N.; Shaw, D. E.; Friesner, R. A. | year=2006 | title=PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results | pages=647–671 | volume=20 | issue=10-11 | url=http://www.springerlink.com/content/n812166552w35468/?MUD=MP | pmid= 17124629 }}</ref> SiteMap,<ref>{{cite journal | doi=10.1021/ci800324m | journal= J. Chem. Inf. Model. | author=Halgren, T. | year=2009 | title=Identifying and Characterizing Binding Sites and Assessing Druggability | pages=377–389 | volume=49 | issue=2 | url=http://pubs.acs.org/doi/abs/10.1021/ci800324m | pmid= 19434839 }}</ref> WaterMap,<ref>{{cite journal | doi=10.1021/ja0771033 | journal= J. Am. Chem. Sco. | author=Robert Abel, Tom Young, Ramy Farid, Bruce J. Berne, Richard A. Friesner | year=2008 | title=Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding | pages=2817–2831 | volume=130 | issue=9 | url=http://pubs.acs.org/doi/abs/10.1021/ja0771033 | pmid= 18266362 }}</ref> <ref>{{cite journal | journal= Chem. Eng. News | author=Elizabeth K. Wilson | year=2012 | title=Water's Role in Drug Discovery| pages=64-65 | volume=90 | issue=11 | url=http://pubs.acs.org/doi/abs/10.1021/cen-09011-scitech3}}</ref> and [[PyMOL]].


==References==
==References==

Revision as of 18:12, 24 July 2014

Schrödinger
Company typePrivate
Industryscience and health technology
software publisher NAICS 511210
Founded1990
FounderRichard A. Friesner,
Bill Goddard
HeadquartersPortland,OR
Key people
Ramy Farid (President), Murco Ringnalda (CFO)
Number of employees
240 total as of Sep 2013[1]
WebsiteOfficial 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 has headquarters in Portland, Oregon and New York City, as well as operations in California, Massachusetts, Maryland, Germany, the United Kingdom, and Japan. [2]

History

Co-founders Murco Ringnalda and Richard A. Friesner started the company in Texas in 1990. Ringnalda, a native of Portland, OR was a student at the time. In 1996, the company relocated to Portland, OR.[1][3]

Company

Schrodinger's major offices are located in Portland and New York.[4] 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.[1] Gates invested another $20 million in Schrodinger in December 2012.[4] In September 2013, Nimbus Discovery, a company co-founded by Schrödinger, was named one of FierceBiotech's "2013 Fierce 15" in recognition of the company's novel business strategies and technology. [5] 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. [6][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 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

  1. ^ a b c Siemers, Erica (24 May 2010). "Bill Gates' cash boosts drug company Schrodinger LLC". Portland Business Journal. Retrieved 28 August 2013.
  2. ^ "Business Week". http://investing.businessweek.com/research/stocks/private/snapshot.asp?privcapid=517729. {{cite web}}: |access-date= requires |url= (help); External link in |publisher= (help); Missing or empty |url= (help)
  3. ^ McBride, Ryan "Bill Gates Backs Nimbus, Betting on Computer-Based Drug Discovery" xconomy.com, 3/10/2011
  4. ^ a b "biz journal". Dec 2012. Retrieved 28 August 2013.
  5. ^ "FierceBiotech". http://www.fiercebiotech.com/special-reports/nimbus-discovery-fiercebiotechs-2013-fierce-15. {{cite web}}: |access-date= requires |url= (help); External link in |publisher= (help); Missing or empty |url= (help)
  6. ^ "CNET". Nov 2013. Retrieved 21 July 2014.
  7. ^ "CycleComputing". http://www.cyclecomputing.com/discovery-invention/use-cases/. {{cite web}}: |access-date= requires |url= (help); External link in |publisher= (help); Missing or empty |url= (help)
  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.{{cite journal}}: CS1 maint: multiple names: authors list (link)
  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.{{cite journal}}: CS1 maint: multiple names: authors list (link)
  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.{{cite journal}}: CS1 maint: multiple names: authors list (link)
  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.{{cite journal}}: CS1 maint: multiple names: authors list (link)
  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.{{cite journal}}: CS1 maint: multiple names: authors list (link)
  14. ^ Elizabeth K. Wilson (2012). "Water's Role in Drug Discovery". Chem. Eng. News. 90 (11): 64–65.


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