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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
 
RDFRDF
 
Provenance Metadata About This Resource Record

Copyright © 2016 by the President and Fellows of Harvard College
The eagle-i Consortium is supported by NIH Grant #5U24RR029825-02 / Copyright 2016