(Q31130642)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15554686%20AND%20SRC:MED&resulttype=core&format=json

5 January 2020

title

Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets (English)

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5 January 2020

0 references

0 references

3

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5 January 2020

author name string

Nicolas Baurin

1

1 reference

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5 January 2020

Fareed Aboul-Ela

2

1 reference

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5 January 2020

Ben Davis

4

1 reference

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5 January 2020

Martin Drysdale

5

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5 January 2020

Brian Dymock

6

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5 January 2020

Harry Finch

7

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5 January 2020

Christophe Fromont

8

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5 January 2020

Christine Richardson

9

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5 January 2020

Heather Simmonite

10

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5 January 2020

Roderick E Hubbard

11

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5 January 2020

publication date

1 November 2004

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Journal of Chemical Information and Computer Sciences

5 January 2020

published in

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volume

44

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5 January 2020

issue

6

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5 January 2020

page(s)

2157-2166

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Molecular complexity and its impact on the probability of finding leads for drug discovery

5 January 2020

cites work

2 references

7 December 2024

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7 December 2024

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NMR-based screening technologies

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7 December 2024

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Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds

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7 December 2024

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7 December 2024

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Multiple-pulse mixing sequences that selectively enhance chemical exchange or cross-relaxation peaks in high-resolution NMR spectra.

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Design of small molecule libraries for NMR screening and other applications in drug discovery

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7 December 2024

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A small molecule designed to bind to the adenine nucleotide pocket of Hsp90 causes Her2 degradation and the growth arrest and differentiation of breast cancer cells

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7 December 2024

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Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity

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7 December 2024

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Fragment-based lead discovery

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7 December 2024

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Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine

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7 December 2024

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Prediction of aqueous solubility for a diverse set of organic compounds based on atom-type electrotopological state indices.

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7 December 2024

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NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors

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7 December 2024

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Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Structure-based design and protein X-ray analysis of a protein kinase inhibitor

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7 December 2024

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Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuition

2 references

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034043L

High-throughput crystallography to enhance drug discovery

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Experimental and computational mapping of the binding surface of a crystalline protein

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Properties of known drugs. 2. Side chains

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

A ‘Rule of Three’ for fragment-based lead discovery?

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Simple selection criteria for drug-like chemical matter

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Library design for NMR-based screening

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Discovering novel ligands for macromolecules using X-ray crystallographic screening

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

The properties of known drugs. 1. Molecular frameworks

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

NMR in drug discovery

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Discovering high-affinity ligands for proteins: SAR by NMR

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Measuring molecular similarity and diversity: total pharmacophore diversity

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Application of NMR screening in drug discovery

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

The Protein Data Bank

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Characterization of Ligand Binding by Saturation Transfer Difference NMR Spectroscopy

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Molecular properties that influence the oral bioavailability of drug candidates

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049806Z

Identifiers

DOI

10.1021/CI049806Z

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15554686%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/BaurinABDDDFFRSH04

5 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference