Literature DB >> 20357802

Virtual screening: an endless staircase?

Gisbert Schneider1.   

Abstract

Computational chemistry--in particular, virtual screening--can provide valuable contributions in hit- and lead-compound discovery. Numerous software tools have been developed for this purpose. However, despite the applicability of virtual screening technology being well established, it seems that there are relatively few examples of drug discovery projects in which virtual screening has been the key contributor. Has virtual screening reached its peak? If not, what aspects are limiting its potential at present, and how can significant progress be made in the future?

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Year:  2010        PMID: 20357802     DOI: 10.1038/nrd3139

Source DB:  PubMed          Journal:  Nat Rev Drug Discov        ISSN: 1474-1776            Impact factor:   84.694


  57 in total

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Review 9.  In silico prediction of drug properties.

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Review 10.  Grid computing in large pharmaceutical molecular modeling.

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  116 in total

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10.  Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery.

Authors:  Sean Ekins; Robert C Reynolds; Hiyun Kim; Mi-Sun Koo; Marilyn Ekonomidis; Meliza Talaue; Steve D Paget; Lisa K Woolhiser; Anne J Lenaerts; Barry A Bunin; Nancy Connell; Joel S Freundlich
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