Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. - Wikidata - awgldk - TriplyDB

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

http://www.wikidata.org/entity/Q31057078

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Identification of a chemical probe for NAADP by virtual screening Computational approaches in target identification and drug discovery Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases Computational methods in drug discovery Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis SwissDock, a protein-small molecule docking web service based on EADock DSS A Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In Vivo Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand Recognition Automated docking screens: a feasibility study Comparing neural-network scoring functions and the state of the art: applications to common library screening Adaptive cellular stress pathways as therapeutic targets of dietary phytochemicals: focus on the nervous system High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations Structure based discovery of small molecules to regulate the activity of human insulin degrading enzyme IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening Identification of small molecule inhibitors of PTPσ through an integrative virtual and biochemical approach Use of natural products as chemical library for drug discovery and network pharmacology Ligand pose and orientational sampling in molecular docking Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosis Outcome of a workshop on applications of protein models in biomedical research Decoys for docking Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.Docking Screens for Novel Ligands Conferring New Biology.Virtual screening of chemical libraries.Screening scheme based on measurement of fluorescence lifetime in the nanosecond domain.Here be dragons: docking and screening in an uncharted region of chemical space Scoring functions and enrichment: a case study on Hsp90.Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs An effective docking strategy for virtual screening based on multi-objective optimization algorithm.A statistical framework to evaluate virtual screening.Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets.Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines.Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis Experimental validation of FINDSITE(comb) virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders.Novel human mPGES-1 inhibitors identified through structure-based virtual screening.Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B Analysis of structure-based virtual screening studies and characterization of identified active compounds.Ligand-based virtual screening approach using a new scoring function Probing molecular docking in a charged model binding site.

P2860

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P2860

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

http://www.wikidata.org/entity/Q31057078

description

2002 nî lūn-bûn

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2002 թուականի Մայիսին հրատարակուած գիտական յօդուած

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2002 թվականի մայիսին հրատարակված գիտական հոդված

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2002年の論文

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2002年論文

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2002年論文

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2002年論文

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2002年論文

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2002年论文

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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type

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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Journal of Medicinal Chemistry

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Molecular docking and high-thr ...... otein tyrosine phosphatase-1B.

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P2093

Brian K Shoichet

http://www.w3.org/2001/XMLSchema#string

Bryan J Witherbee

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Daniel T Connolly

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Ravi Kurumbail

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Susan L McGovern

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Thomas P Kasten

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Thompson N Doman

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William C Stallings

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2213-2221

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scholarly article

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10.1021/JM010548W

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11

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45

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2002-05-01T00:00:00Z

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12014959

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High-throughput screening