Automatic identification and representation of protein binding sites for molecular docking.
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Mode of action of Ranbezolid against staphylococci and structural modeling studies of its interaction with ribosomesVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsInhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epitheliaInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionInsight into the interactions between novel isoquinolin-1,3-dione derivatives and cyclin-dependent kinase 4 combining QSAR and molecular dockingA Protoberberine derivative HWY336 selectively inhibits MKK4 and MKK7 in mammalian cells: the importance of activation loop on selectivityA structure-guided approach for protein pocket modeling and affinity prediction.A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sitesA simple method for finding a protein's ligand-binding pockets.Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.Structural motifs recurring in different folds recognize the same ligand fragmentsFpocket: an open source platform for ligand pocket detection.Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies3D-QSAR studies of latrunculin-based actin polymerization inhibitors using CoMFA and CoMSIA approaches.Effects of 7-O substitutions on estrogenic and anti-estrogenic activities of daidzein analogues in MCF-7 breast cancer cells.A hydrolytic γ-glutamyl transpeptidase from thermo-acidophilic archaeon Picrophilus torridus: binding pocket mutagenesis and transpeptidation.Tubulin inhibitor identification by bioactive conformation alignment pharmacophore-guided virtual screening.Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.Surflex-Dock: Docking benchmarks and real-world application.Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening.Characterization of a viral phosphoprotein binding site on the surface of the respiratory syncytial nucleoprotein.Normal Modes Expose Active Sites in Enzymes.Semisynthetic latrunculin derivatives as inhibitors of metastatic breast cancer: biological evaluations, preliminary structure-activity relationship and molecular modeling studies.Identification of novel activators of constitutive androstane receptor from FDA-approved drugs by integrated computational and biological approaches.Exploring the potential of protein-based pharmacophore models in ligand pose prediction and rankingEvaluation of the antibacterial activity of patchouli oil.Prediction and evaluation of the lipase inhibitory activities of tea polyphenols with 3D-QSAR modelsThe marine natural-derived inhibitors of glycogen synthase kinase-3beta phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling.A proposal for the revision of molecular boundary typology.How does curcumin work with poor bioavailability? Clues from experimental and theoretical studies.Synthesis and anti-HIV activity of aryl-2-[(4-cyanophenyl)amino]-4-pyrimidinone hydrazones as potent non-nucleoside reverse transcriptase inhibitors.New molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies.Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex.Protein function annotation by local binding site surface similarity.Magnolol Inhibits LPS-induced NF-κB/Rel Activation by Blocking p38 Kinase in Murine MacrophagesFrom the Cover: Structural Determinants of the Position of 2,3',4,4',5-Pentachlorobiphenyl (CB118) Hydroxylation by Mammalian Cytochrome P450 Monooxygenases.Comparison of structure-based and threading-based approaches to protein functional annotation.Molecular docking and QSAR studies on substituted acyl(thio)urea and thiadiazolo [2,3-alpha] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase.QSAR modeling and molecular interaction analysis of natural compounds as potent neuraminidase inhibitors.
P2860
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P2860
Automatic identification and representation of protein binding sites for molecular docking.
description
1997 nî lūn-bûn
@nan
1997 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի մարտին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年学术文章
@wuu
1997年学术文章
@zh-cn
1997年学术文章
@zh-hans
1997年学术文章
@zh-my
1997年学术文章
@zh-sg
1997年學術文章
@yue
name
Automatic identification and r ...... g sites for molecular docking.
@ast
Automatic identification and r ...... g sites for molecular docking.
@en
type
label
Automatic identification and r ...... g sites for molecular docking.
@ast
Automatic identification and r ...... g sites for molecular docking.
@en
prefLabel
Automatic identification and r ...... g sites for molecular docking.
@ast
Automatic identification and r ...... g sites for molecular docking.
@en
P2093
P2860
P356
P1433
P1476
Automatic identification and r ...... g sites for molecular docking.
@en
P2093
P2860
P304
P356
10.1002/PRO.5560060302
P577
1997-03-01T00:00:00Z