(Q30959752)

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Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set (English)

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

toll-like receptor

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1 reference

based on heuristic

inferred from title

virtual screening

1 reference

based on heuristic

inferred from title

4

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

author name string

Fen Pei

1

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Hongwei Jin

2

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Xin Zhou

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Lidan Sun

5

1 reference

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15 February 2020

Zhenming Liu

6

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Liangren Zhang

7

1 reference

Europe PubMed Central

PubMed publication ID

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15 February 2020

publication date

14 July 2015

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Europe PubMed Central

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15 February 2020

Chemical Biology and Drug Design

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15 February 2020

86

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Europe PubMed Central

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15 February 2020

5

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15 February 2020

1226-1241

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

Innate immune recognition

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Endogenous ligands of Toll-like receptors: implications for regulating inflammatory and immune responses

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Control of adaptive immune responses by Toll-like receptors.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

The use of Toll-like receptor 7/8 agonists as vaccine adjuvants

1 reference

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21 January 2018

Imidazoquinoline Toll-like receptor 8 agonists activate human newborn monocytes and dendritic cells through adenosine-refractory and caspase-1-dependent pathways

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Toll-like receptor-8 agonistic activities in C2, C4, and C8 modified thiazolo[4,5-c]quinolines

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Exquisite selectivity for human toll-like receptor 8 in substituted furo[2,3-c]quinolines.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Structure-activity relationships in human Toll-like receptor 8-active 2,3-diamino-furo[2,3-c]pyridines.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure-activity relationship (QSAR) of diverse heterocyclic scaffolds

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Structure-Based Design of Novel Human Toll-like Receptor 8 Agonists

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Virtual screening: an endless staircase?

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Recent development and application of virtual screening in drug discovery: an overview

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Virtual screening strategies in drug discovery

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Predicting molecular interactions in silico: I. A guide to pharmacophore identification and its applications to drug design

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Toll-like receptor 7 agonists: chemical feature based pharmacophore identification and molecular docking studies

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Ligand-based pharmacophore modeling and virtual screening for the discovery of novel 17β-hydroxysteroid dehydrogenase 2 inhibitors

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Identification of novel inhibitors against Mycobacterium tuberculosis L-alanine dehydrogenase (MTB-AlaDH) through structure-based virtual screening.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

A critical assessment of docking programs and scoring functions

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Comparative evaluation of 11 scoring functions for molecular docking

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Assessment of scaffold hopping efficiency by use of molecular interaction fingerprints

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Benchmarking sets for molecular docking

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

REPROVIS-DB: a benchmark system for ligand-based virtual screening derived from reproducible prospective applications

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

DEKOIS: demanding evaluation kits for objective in silico screening--a versatile tool for benchmarking docking programs and scoring functions

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Assessment of a rule-based virtual screening technology (INDDEx) on a benchmark data set.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Evaluation and optimization of virtual screening workflows with DEKOIS 2.0--a public library of challenging docking benchmark sets

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

How to benchmark methods for structure-based virtual screening of large compound libraries

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

ZINC: a free tool to discover chemistry for biology

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Development and validation of a genetic algorithm for flexible docking

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Improved protein-ligand docking using GOLD

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Morphological similarity: a 3D molecular similarity method correlated with protein-ligand recognition

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

What do we know and when do we know it?

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Preliminary evaluation of a 3H imidazoquinoline library as dual TLR7/TLR8 antagonists

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Comparison of Shape-Matching and Docking as Virtual Screening Tools

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12590

21 January 2018

Identifiers

10.1111/CBDD.12590

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26017460%20AND%20SRC:MED&resulttype=core&format=json

15 February 2020

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