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PAPER Accelerates Parallel Evaluations of ROCS

eagle-i ID

http://shared.eagle-i.net/i/0000013a-4ad5-20ee-5291-c33f80000000

Resource Type

  1. Software

Properties

  1. Resource Description
    PAPER is a program to calculate optimal molecular overlays, based on the Gaussian model of molecular shape (as used, for example, in OpenEye ROCS). It accelerates large screening experiments by evaluating multiple overlays in parallel on NVIDIA GPUs.
  2. Contact
    Haque, Imran
  3. Used by
    Stanford University
  4. Operating System
    Any
 
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