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Pattern recognition and massively distributed computing.

Authors :
Davies EK
Glick M
Harrison KN
Richards WG
Source :
Journal of computational chemistry [J Comput Chem] 2002 Dec; Vol. 23 (16), pp. 1544-50.
Publication Year :
2002

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.<br /> (Copyright 2002 Wiley Periodicals, Inc.)

Details

Language :
English
ISSN :
0192-8651
Volume :
23
Issue :
16
Database :
MEDLINE
Journal :
Journal of computational chemistry
Publication Type :
Academic Journal
Accession number :
12395423
Full Text :
https://doi.org/10.1002/jcc.10107