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» A Library for Self-Adjusting Computation

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PPSC
1997

80views Distributed And Parallel Com...» more PPSC 1997»

ScaLAPACK: A Linear Algebra Library for Message-Passing Computers

15 years 5 months ago

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This article outlines the content and performance of some of the ScaLAPACK software. ScaLAPACK is a collection of mathematical software for linear algebra computations on distribu...

L. Susan Blackford, Jaeyoung Choi, Andrew J. Clear...

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126

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BMCBI
2006

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Representation of target-bound drugs by computed conformers: implications for conformational libraries

15 years 4 months ago

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Background: The increasing number of known protein structures provides valuable information about pharmaceutical targets. Drug binding sites are identifiable and suitable lead com...

Stefan Günther, Christian Senger, Elke Michal...

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ASPDAC
2004
ACM

76views Hardware» more ASPDAC 2004»

Efficient computation of canonical form for Boolean matching in large libraries

15 years 9 months ago