Integration of virtual and high throughput screening in lead discovery settings.
about
Application of the 4D fingerprint method with a robust scoring function for scaffold-hopping and drug repurposing strategies.Combination of 2D/3D ligand-based similarity search in rapid virtual screening from multimillion compound repositories. Selection and biological evaluation of potential PDE4 and PDE5 inhibitors.Combination of Pharmacophore Matching, 2D Similarity Search, and In Vitro Biological Assays in the Selection of Potential 5-HT6 Antagonists from Large Commercial Repositories.Identification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs.Role of computer-aided drug design in modern drug discovery.An overview of aldehyde oxidase: an enzyme of emerging importance in novel drug discovery.Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.Virtual compound screening in drug discovery.Editorial: Improving Neuropharmacology using Big Data, Machine Learning and Computational Algorithms.Molecular dynamics simulations and novel drug discovery.
P2860
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P2860
Integration of virtual and high throughput screening in lead discovery settings.
description
article científic
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article scientifique
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articol științific
@ro
articolo scientifico
@it
artigo científico
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artigo científico
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artigo científico
@pt-br
artikel ilmiah
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artikull shkencor
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artículo científico
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name
Integration of virtual and high throughput screening in lead discovery settings.
@en
Integration of virtual and high throughput screening in lead discovery settings.
@nl
type
label
Integration of virtual and high throughput screening in lead discovery settings.
@en
Integration of virtual and high throughput screening in lead discovery settings.
@nl
prefLabel
Integration of virtual and high throughput screening in lead discovery settings.
@en
Integration of virtual and high throughput screening in lead discovery settings.
@nl
P1476
Integration of virtual and high throughput screening in lead discovery settings
@en
P2093
György M Keseru
Tímea Polgár
P304
P356
10.2174/138620711797537148
P577
2011-12-01T00:00:00Z