Pharmacophore

Known as: Pharmacophores 
A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological… (More)
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Highly Cited
2012
Highly Cited
2012
ZINCPharmer (http://zincpharmer.csb.pitt.edu) is an online interface for searching the purchasable compounds of the ZINC database… (More)
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Highly Cited
2011
Highly Cited
2011
Preface: Perceiving a pharmacophore is the most important first step towards understanding the interaction between a receptor and… (More)
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2011
2011
Pharmacophore search is a key component of many drug discovery efforts. Pharmer is a new computational approach to pharmacophore… (More)
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Highly Cited
2010
Highly Cited
2010
In silico drug target identification, which includes many distinct algorithms for finding disease genes and proteins, is the… (More)
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Highly Cited
2006
Highly Cited
2006
We introduce PHASE, a highly flexible system for common pharmacophore identification and assessment, 3D QSAR model development… (More)
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Highly Cited
2006
Highly Cited
2006
Aligning and overlaying two or more bio-active molecules is one of the key tasks in computational drug discovery and bio-activity… (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
1998
Highly Cited
1998
This paper presents a case study of a machine-aided knowledge discovery process within the general area of drug design. Within… (More)
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Highly Cited
1995
Highly Cited
1995
A genetic algorithm (GA) has been developed for the superimposition of sets of flexible molecules. Molecules are represented by a… (More)
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Highly Cited
1993
Highly Cited
1993
In the absence of a 3D structure of the target biomolecule, to propose the 3D requirements for a small molecule to exhibit a… (More)
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