Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment.
about
Application of the 4D fingerprint method with a robust scoring function for scaffold-hopping and drug repurposing strategies.Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sitesLigand-based virtual screening approach using a new scoring functionA rapid identification of hit molecules for target proteins via physico-chemical descriptors.Colon cancer chemopreventive effects of baicalein, an active enteric microbiome metabolite from baicalinAvalanche for shape and feature-based virtual screening with 3D alignment.Recognizing protein-ligand binding sites by global structural alignment and local geometry refinement.Re-engineering aryl methylcarbamates to confer high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase.Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.Latest developments in molecular docking: 2010-2011 in review.Cancer Chemoprevention Effects of Ginger and its Active Constituents: Potential for New Drug Discovery.Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping.Isolation and chemopreventive evaluation of novel naphthoquinone compounds from Alkanna tinctoria.Ginsenoside compound K, not Rb1, possesses potential chemopreventive activities in human colorectal cancer.mRAISE: an alternative algorithmic approach to ligand-based virtual screening.Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.Contact-based ligand-clustering approach for the identification of active compounds in virtual screeningModelling the possible bioactivity of ellagitannin-derived metabolites. In silico tools to evaluate their potential xenoestrogenic behavior.Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches.Advances in the Development of Shape Similarity Methods and Their Application in Drug DiscoveryShape-based similarity searching in chemical databasesOnline structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targetsDeglycosylation of wogonoside enhances its anticancer potential
P2860
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P2860
Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@en
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@nl
type
label
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@en
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@nl
prefLabel
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@en
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@nl
P50
P356
P1476
Comparative evaluation of 3D v ...... cular alignment on enrichment.
@en
P2093
Hélène Guillemain
Jean-Louis Spadoni
P304
P356
10.1021/CI900507G
P577
2010-06-01T00:00:00Z