Evaluation of library ranking efficacy in virtual screening.
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Combining docking with pharmacophore filtering for improved virtual screeningBenchmarking sets for molecular dockingEvaluating docking methods for prediction of binding affinities of small molecules to the G protein betagamma subunitsUsing free energy of binding calculations to improve the accuracy of virtual screening predictions.Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studiesMoDock: A multi-objective strategy improves the accuracy for molecular docking.A method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening.Analysis of Enoyl-Acyl Carrier Protein Reductase Structure and Interactions Yields an Efficient Virtual Screening Approach and Suggests a Potential Allosteric Site.How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases.Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.Statistical estimation of the protein-ligand binding free energy based on direct protein-ligand interaction obtained by molecular dynamics simulation.Improved estimation of protein-ligand binding free energy by using the ligand-entropy and mobility of water moleculesValidation of molecular docking programs for virtual screening against dihydropteroate synthase.Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs).Recognizing drug targets using evolutionary information: implications for repurposing FDA-approved drugs against Mycobacterium tuberculosis H37Rv.Validation of a homology model of Mycobacterium tuberculosis DXS: rationalization of observed activities of thiamine derivatives as potent inhibitors of two orthologues of DXS.Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction.Molecular Shape Analysis-Guided Virtual Screening Platform for Adenosine Kinase Inhibitors.Docking and Virtual Screening in Drug Discovery.
P2860
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P2860
Evaluation of library ranking efficacy in virtual screening.
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Evaluation of library ranking efficacy in virtual screening.
@ast
Evaluation of library ranking efficacy in virtual screening.
@en
type
label
Evaluation of library ranking efficacy in virtual screening.
@ast
Evaluation of library ranking efficacy in virtual screening.
@en
prefLabel
Evaluation of library ranking efficacy in virtual screening.
@ast
Evaluation of library ranking efficacy in virtual screening.
@en
P2093
P356
P1476
Evaluation of library ranking efficacy in virtual screening.
@en
P2093
Glenn S Sokol
Laura M McClellan
Maria Kontoyianni
P356
10.1002/JCC.20141
P577
2005-01-01T00:00:00Z