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MOE: Molecular Operating Environment

eagle-i ID

http://xula.eagle-i.net/i/00000136-1c73-6274-a9f8-d64580000000

Resource Type

  1. Software

Properties

  1. Resource Description
    "Cheminformatics & (HTS) QSAR- MOE provides a suite of applications for manipulating and analyzing large collections of compounds, building property models, consensus models and SD pipeline command line tools."
  2. Resource Description
    "MOE is a fully integrated drug discovery software package ...that integrates visualization, molecular modeling, protein modeling and bioinformatics, cheminformatics and QSAR, high throughput discovery, pharmacophore modeling and structure based design in one package. In addition to the suite of graphical applications, MOE contains a toolbox for adapting existing applications or creating new applications for Life Sciences. With MOE, expert modelers, application developers and occasional users can benefit from sharing the same software system. Methodology written by application developers can be validated by expert modelers and then deployed to occasional users using either the MOE graphical interface or a Web interface." "Cheminformatics & (HTS) QSAR- MOE provides a suite of applications for manipulating and analyzing large collections of compounds, building property models, consensus models and SD pipeline command line tools."
  3. Resource Description
    "Medicinal Chemistry Applications- MOE is the ideal system for large scale deployment of molecular modeling and cheminformatics applications to occasional users such as medicinal chemists. MOE has the advantage of having a flexible and customizable interface. MOE applications are easy to use and workflow or customized tools can be added. MOE is ported to a wide variety of computer platforms including Intel computers running Microsoft Windows™, Mac OS and Mac OS X (10.5 and 10.6)."
  4. Resource Description
    "Molecular Modeling & Simulations- MOE's internal representation of organic chemical structures and flexible architecture provide a solid foundation for molecular modeling and computational chemistry. Intuitive molecular editors, file format handling, choice of validated forcefields, powerful modeling applications and customizability make MOE the most flexible molecular modeling environment in the industry."
  5. Resource Description
    "Pharmacophore Discovery- MOE's pharmacophore modeling methodology is a powerful means to generate and use 3D geometric information to search for novel active compounds, particularly when no receptor geometry is available. Pharmacophore methods use a generalized ligand representation and geometric constraints to bypass the structural or chemical class bias of 2D methods. MOE's pharmacophore applications are powerful, intuitive and easy to use, both for experts and occasional users."
  6. Resource Description
    "Protein & Antibody Modeling- MOE's CASP validated applications for protein structure prediction are powerful, intuitive and easy to use, both for experts and occasional users. Powerful homologue identification, alignment technology and refinement methodology make high quality sequence to structure predictions routinely possible."
  7. Resource Description
    "Structure-Based Design- Macromolecular crystallographic data, when available, can be a valuable source of information for discovering active ligands. MOE provides a collection of applications for visualizing and understanding details of receptor active sites and receptor-ligand interactions. These applications are used to suggest improvements to ligands or screen ligand databases for candidate binders. "
  8. Additional Name
    Molecular Operating Environment (MOE), 2011.10
  9. Contact
    Mottamal, Madhu, Ph.D.
  10. Manufacturer
    Chemical Computing Group Inc.
  11. Used by
    RCMI Molecular Structure and Modeling Core
  12. Website(s)
    http://www.chemcomp.com/software.htm
  13. Website(s)
    http://www.xula.edu/rcmi/molstrucmodcore.php
  14. Software license
    Proprietary commercial software license
 
RDFRDF
 
Provenance Metadata About This Resource Record
  1. workflow state
    Published
  2. contributor
    sgarner
  3. created
    2012-03-16T12:00:29.472-05:00
  4. creator
    molecular-modeling
  5. modified
    2012-06-15T11:43:01.974-05:00

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