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Structure based drug design

eagle-i ID

http://xula.eagle-i.net/i/00000134-fd33-49ce-77e4-a45080000000

Resource Type

  1. Material production service

Properties

  1. Resource Description
    Structure-based drug design (SBDD) has emerged as an integral part of the modern drug design and discovery process. It is very useful in the development of new drug leads. SBDD uses three dimensional structure of target proteins in order to identify or design lead molecules by docking or virtual screening of chemical libraries. Homology models are used when 3D structures of the target proteins are unavailable. Hence the SBDD requires knowledge of the X-ray structure of a drug target or high sequence identity of a similar target with a known structure in order to determine potential interaction sites for drug modulators, screen databases for new lead candidates, and design potential inhibitors for the target receptor.
  2. Contact
    Mottamal, Madhu, Ph.D.
  3. Related Resource
    Schrödinger Suite
  4. Related Resource
    Tripos Sybyl-X
  5. Related Resource
    MOE: Molecular Operating Environment
  6. Related Resource
    GOLD
  7. Service Provided by
    RCMI Molecular Structure and Modeling Core
  8. Website(s)
    http://tripos.com/index.php?family=modules,SimplePage,,,&page=SYBYL-X
  9. Website(s)
    http://www.ccdc.cam.ac.uk/products/life_sciences/gold/
  10. Website(s)
    http://www.chemcomp.com/software.htm
  11. Website(s)
    http://www.schrodinger.com/
 
RDFRDF
 
Provenance Metadata About This Resource Record
  1. workflow state
    Published
  2. contributor
    sgarner
  3. created
    2012-01-20T16:30:42.794-06:00
  4. creator
    tjohnson
  5. modified
    2012-04-20T16:33:55.022-05:00

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