Virtual screening

Known as: Virtual high throughput screening 
Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify those… (More)
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Papers overview

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Review
2017
Review
2017
The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and… (More)
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Highly Cited
2013
Highly Cited
2013
Structure-based virtual screening plays an important role in drug discovery and complements other screening approaches. In… (More)
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Highly Cited
2011
Highly Cited
2011
  • Mark McGann
  • Journal of Chemical Information and Modeling
  • 2011
Results of a previous docking study are reanalyzed and extended to include results from the docking program FRED and a detailed… (More)
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Highly Cited
2009
Highly Cited
2009
Molecular docking programs are widely used modeling tools for predicting ligand binding modes and structure based virtual… (More)
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Highly Cited
2007
Highly Cited
2007
Virtual screening benchmarking studies were carried out on 11 targets to evaluate the performance of three commonly used… (More)
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Review
2006
Review
2006
This paper summarizes recent work at the University of Sheffield on virtual screening methods that use 2D fingerprint measures of… (More)
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Highly Cited
2005
Highly Cited
2005
A critical barrier to entry into structure-based virtual screening is the lack of a suitable, easy to access database of… (More)
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Highly Cited
2005
Highly Cited
2005
From the historically grown archive of protein-ligand complexes in the Protein Data Bank small organic ligands are extracted and… (More)
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Highly Cited
2005
Highly Cited
2005
MOTIVATION Virtual screening of molecular compound libraries is a potentially powerful and inexpensive method for the discovery… (More)
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Highly Cited
2004
Highly Cited
2004
This study addresses a number of topical issues around the use of protein-ligand docking in virtual screening. We show that, for… (More)
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