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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
Properties
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Resource Description
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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.
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Contact
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Haque, Imran
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Used by
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Stanford University
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Operating System
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Any
