Optimal assignment methods for ligand-based virtual screening
about
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprintsApplication of 3D Zernike descriptors to shape-based ligand similarity searchingComparing neural-network scoring functions and the state of the art: applications to common library screeningSystematic exploitation of multiple receptor conformations for virtual ligand screeningLarge-scale chemical similarity networks for target profiling of compounds identified in cell-based chemical screensOpen-source platform to benchmark fingerprints for ligand-based virtual screeningBenchmarking methods and data sets for ligand enrichment assessment in virtual screening.Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRsPharmacophore alignment search tool: influence of the third dimension on text-based similarity searching.Ligand-based virtual screening approach using a new scoring functionOptimization and visualization of the edge weights in optimal assignment methods for virtual screening.A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors.Graph-based similarity concepts in virtual screening.Computational methods for the discovery of mood disorder therapies.The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.Estimation of the applicability domain of kernel-based machine learning models for virtual screeningCheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screening3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping.A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model.4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening.How far can virtual screening take us in drug discovery?Web-based drug repurposing tools: a survey.A novel, customizable and optimizable parameter method using spherical harmonics for molecular shape similarity comparisons.Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors.CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.
P2860
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P2860
Optimal assignment methods for ligand-based virtual screening
description
2009 nî lūn-bûn
@nan
2009 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Optimal assignment methods for ligand-based virtual screening
@ast
Optimal assignment methods for ligand-based virtual screening
@en
Optimal assignment methods for ligand-based virtual screening
@nl
type
label
Optimal assignment methods for ligand-based virtual screening
@ast
Optimal assignment methods for ligand-based virtual screening
@en
Optimal assignment methods for ligand-based virtual screening
@nl
prefLabel
Optimal assignment methods for ligand-based virtual screening
@ast
Optimal assignment methods for ligand-based virtual screening
@en
Optimal assignment methods for ligand-based virtual screening
@nl
P2093
P2860
P356
P1476
Optimal assignment methods for ligand-based virtual screening
@en
P2093
Andreas Jahn
Andreas Zell
Nikolas Fechner
P2860
P2888
P356
10.1186/1758-2946-1-14
P407
P577
2009-08-25T00:00:00Z
P5875
P6179
1041541765