Literature DB >> 12395423

Pattern recognition and massively distributed computing.

E Keith Davies1, Meir Glick, Karl N Harrison, W Graham Richards.   

Abstract

A feature of Peter Kollman's research was his exploitation of the latest computational techniques to devise novel applications of the free energy perturbation method. He would certainly have seized upon the opportunities offered by massively distributed computing. Here we describe the use of over a million personal computers to perform virtual screening of 3.5 billion druglike molecules against protein targets by pharmacophore pattern matching, together with other applications of pattern recognition such as docking ligands without any a priori knowledge about the binding site location. Copyright 2002 Wiley Periodicals, Inc.

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Year:  2002        PMID: 12395423     DOI: 10.1002/jcc.10107

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


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